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Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.
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1

6-Thioguanine, 98%

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 SMILES: NC1=NC(=S)C2=C(N1)N=CN2

PubChem CID 2723601
CAS 154-42-7
Molecular Weight (g/mol) 167.19
ChEBI CHEBI:9555
MDL Number MFCD00233553
SMILES NC1=NC(=S)C2=C(N1)N=CN2
Synonym 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol
InChI Key WYWHKKSPHMUBEB-UHFFFAOYSA-N
Molecular Formula C5H5N5S
2

6-Mercaptopurine monohydrate, 98%

CAS: 6112-76-1 Molecular Formula: C5H6N4OS Molecular Weight (g/mol): 170.19 MDL Number: MFCD03854445,MFCD01461928 InChI Key: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC Name: 3,7-dihydropurine-6-thione;hydrate SMILES: O.S=C1N=CNC2=C1NC=N2

PubChem CID 2724350
CAS 6112-76-1
Molecular Weight (g/mol) 170.19
ChEBI CHEBI:31822
MDL Number MFCD03854445,MFCD01461928
SMILES O.S=C1N=CNC2=C1NC=N2
Synonym 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5
IUPAC Name 3,7-dihydropurine-6-thione;hydrate
InChI Key WFFQYWAAEWLHJC-UHFFFAOYSA-N
Molecular Formula C5H6N4OS
3

6-Mercaptopurine monohydrate, 98%

CAS: 6112-76-1 Molecular Formula: C5H6N4OS Molecular Weight (g/mol): 170.19 MDL Number: MFCD03854445,MFCD01461928 InChI Key: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC Name: 3,7-dihydropurine-6-thione;hydrate SMILES: O.S=C1N=CNC2=C1NC=N2

PubChem CID 2724350
CAS 6112-76-1
Molecular Weight (g/mol) 170.19
ChEBI CHEBI:31822
MDL Number MFCD03854445,MFCD01461928
SMILES O.S=C1N=CNC2=C1NC=N2
Synonym 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5
IUPAC Name 3,7-dihydropurine-6-thione;hydrate
InChI Key WFFQYWAAEWLHJC-UHFFFAOYSA-N
Molecular Formula C5H6N4OS
4

2-Amino-6-hydroxy-8-mercaptopurine, 97%

CAS: 28128-40-7 Molecular Formula: C5H5N5OS Molecular Weight (g/mol): 183.19 MDL Number: MFCD00075623 InChI Key: JHEKNTQSGTVPAO-UHFFFAOYSA-N Synonym: 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one PubChem CID: 2725005 IUPAC Name: 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one SMILES: C12=C(NC(=NC1=O)N)NC(=S)N2

PubChem CID 2725005
CAS 28128-40-7
Molecular Weight (g/mol) 183.19
MDL Number MFCD00075623
SMILES C12=C(NC(=NC1=O)N)NC(=S)N2
Synonym 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one
IUPAC Name 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one
InChI Key JHEKNTQSGTVPAO-UHFFFAOYSA-N
Molecular Formula C5H5N5OS
5

6-Thioguanine 95.0+%, TCI America™

CAS: 154-42-7 Molecular Formula: C5H5N5S Molecular Weight (g/mol): 167.19 MDL Number: MFCD00233553 InChI Key: WYWHKKSPHMUBEB-UHFFFAOYSA-N Synonym: 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol PubChem CID: 2723601 ChEBI: CHEBI:9555 IUPAC Name: 2-amino-6,7-dihydro-3H-purine-6-thione SMILES: NC1=NC(=S)C2=C(N1)N=CN2

PubChem CID 2723601
CAS 154-42-7
Molecular Weight (g/mol) 167.19
ChEBI CHEBI:9555
MDL Number MFCD00233553
SMILES NC1=NC(=S)C2=C(N1)N=CN2
Synonym 6-thioguanine,thioguanine,tioguanine,2-amino-6-mercaptopurine,6-mercaptoguanine,tioguanin,tabloid,lanvis,2-amino-6-purinethiol,2-aminopurine-6-thiol
IUPAC Name 2-amino-6,7-dihydro-3H-purine-6-thione
InChI Key WYWHKKSPHMUBEB-UHFFFAOYSA-N
Molecular Formula C5H5N5S
6

6-Mercaptopurine Monohydrate 98.0+%, TCI America™

CAS: 6112-76-1 Molecular Formula: C5H6N4OS Molecular Weight (g/mol): 170.19 MDL Number: MFCD03854445,MFCD01461928 InChI Key: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC Name: 6,7-dihydro-3H-purine-6-thione hydrate SMILES: O.S=C1N=CNC2=C1NC=N2

PubChem CID 2724350
CAS 6112-76-1
Molecular Weight (g/mol) 170.19
ChEBI CHEBI:31822
MDL Number MFCD03854445,MFCD01461928
SMILES O.S=C1N=CNC2=C1NC=N2
Synonym 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5
IUPAC Name 6,7-dihydro-3H-purine-6-thione hydrate
InChI Key WFFQYWAAEWLHJC-UHFFFAOYSA-N
Molecular Formula C5H6N4OS
7

6-Bromoimidazo[1,2-a]pyrimidine 98.0+%, TCI America™

CAS: 865156-68-9 Molecular Formula: C6H4BrN3 Molecular Weight (g/mol): 198.023 MDL Number: MFCD09261434 InChI Key: BQMWMOQCMFLRQQ-UHFFFAOYSA-N Synonym: 6-bromoimidazo 1,2-a pyrimidine,6-bromo-imidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine, 6-bromo,6-bromo-4-hydroimidazo 1,2-a pyrimidine,pubchem20931,acmc-209qa4,6-bromo-imidazo 1,2-a pyr...,6-bromanylimidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine,6-bromo PubChem CID: 26967622 IUPAC Name: 6-bromoimidazo[1,2-a]pyrimidine SMILES: C1=CN2C=C(C=NC2=N1)Br

PubChem CID 26967622
CAS 865156-68-9
Molecular Weight (g/mol) 198.023
MDL Number MFCD09261434
SMILES C1=CN2C=C(C=NC2=N1)Br
Synonym 6-bromoimidazo 1,2-a pyrimidine,6-bromo-imidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine, 6-bromo,6-bromo-4-hydroimidazo 1,2-a pyrimidine,pubchem20931,acmc-209qa4,6-bromo-imidazo 1,2-a pyr...,6-bromanylimidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine,6-bromo
IUPAC Name 6-bromoimidazo[1,2-a]pyrimidine
InChI Key BQMWMOQCMFLRQQ-UHFFFAOYSA-N
Molecular Formula C6H4BrN3
8

2-Hydroxy-6-aminopurine, 98%

CAS: 3373-53-3 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00142931 InChI Key: DRAVOWXCEBXPTN-UHFFFAOYSA-N Synonym: isoguanine,2-hydroxyadenine,2-hydroxy-6-aminopurine,6-amino-3,7-dihydro-2h-purin-2-one,6-amino-2-hydroxypurine,6-amino-7h-purin-2-ol,2-oxoadenine,6-amino-1,3-dihydro-2h-purin-2-one,2-oxyadenine,6-amino-9h-purin-2-ol PubChem CID: 76900 ChEBI: CHEBI:62462 IUPAC Name: 6-amino-1,7-dihydropurin-2-one SMILES: NC1=C2NC=NC2=NC(=O)N1

PubChem CID 76900
CAS 3373-53-3
Molecular Weight (g/mol) 151.13
ChEBI CHEBI:62462
MDL Number MFCD00142931
SMILES NC1=C2NC=NC2=NC(=O)N1
Synonym isoguanine,2-hydroxyadenine,2-hydroxy-6-aminopurine,6-amino-3,7-dihydro-2h-purin-2-one,6-amino-2-hydroxypurine,6-amino-7h-purin-2-ol,2-oxoadenine,6-amino-1,3-dihydro-2h-purin-2-one,2-oxyadenine,6-amino-9h-purin-2-ol
IUPAC Name 6-amino-1,7-dihydropurin-2-one
InChI Key DRAVOWXCEBXPTN-UHFFFAOYSA-N
Molecular Formula C5H5N5O
9

Sigma Aldrich 6-Mercaptopurine monohydrate

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
Percent Purity 98%
Linear Formula C5H4N4S -+ H2O
CAS 6112-76-1
Molecular Weight (g/mol) 170.19
MDL Number MFCD03854445
Synonym 6-Purinethiol; 6-Thiohypoxanthine
RTECS Number UP0400000
Recommended Storage Room Temperature
Molecular Formula C5H4N4S -+ H2O
EINECS Number 200-037-4
Melting Point >300°C (lit.)
10

MilliporeSigma™ Adenine, ≥98%, Calbiochem™,

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

PubChem CID 190
CAS 73-24-5
Molecular Weight (g/mol) 135.13
ChEBI CHEBI:16708
MDL Number MFCD00041790
SMILES NC1=C2NC=NC2=NC=N1
Synonym adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name 7H-purin-6-amine
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula C5H5N5
11

Adenine, Synthetic, Spectrum™ Chemical
SDP

CAS: 73-24-5

CAS 73-24-5
12

Adenine Hydrochloride, ∼99%, MP Biomedicals™

CAS: 6055-72-7 Molecular Formula: C5H8ClN5O Molecular Weight (g/mol): 189.60 MDL Number: MFCD11046306 InChI Key: MYRDTAUFFBYTHA-UHFFFAOYSA-N Synonym: 7h-purin-6-amine hydrochloride hydrate,adenine hydrochloride hydrate,adenine hydrochloride hemihydrate,1h-purin-6-amine monohydrochloride hydrate 2:1,ade hydrate hydrochloride,purine-6-ylamine, chloride, hydrate,c5h5n5.hcl.h2o,adenine hydrochloride,adeninehydrochloridehemihydrate,vitamin b4 hydrate hydrochloride PubChem CID: 24211900 IUPAC Name: 7H-purin-6-amine hydrate hydrochloride SMILES: O.Cl.NC1=C2NC=NC2=NC=N1

PubChem CID 24211900
CAS 6055-72-7
Molecular Weight (g/mol) 189.60
MDL Number MFCD11046306
SMILES O.Cl.NC1=C2NC=NC2=NC=N1
Synonym 7h-purin-6-amine hydrochloride hydrate,adenine hydrochloride hydrate,adenine hydrochloride hemihydrate,1h-purin-6-amine monohydrochloride hydrate 2:1,ade hydrate hydrochloride,purine-6-ylamine, chloride, hydrate,c5h5n5.hcl.h2o,adenine hydrochloride,adeninehydrochloridehemihydrate,vitamin b4 hydrate hydrochloride
IUPAC Name 7H-purin-6-amine hydrate hydrochloride
InChI Key MYRDTAUFFBYTHA-UHFFFAOYSA-N
Molecular Formula C5H8ClN5O
13

Adenine 99.0+%, TCI America™

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

PubChem CID 190
CAS 73-24-5
Molecular Weight (g/mol) 135.13
ChEBI CHEBI:16708
MDL Number MFCD00041790
SMILES NC1=C2NC=NC2=NC=N1
Synonym adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name 7H-purin-6-amine
InChI Key GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula C5H5N5
14

Xanthine 98.0+%, TCI America™

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.113 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

PubChem CID 1188
CAS 69-89-6
Molecular Weight (g/mol) 152.113
ChEBI CHEBI:17712
MDL Number MFCD00078453
SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol
IUPAC Name 3,7-dihydropurine-2,6-dione
InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
15

Adenine Hydrochloride Hemihydrate 98.0+%, TCI America™

CAS: 2922-28-3 Molecular Formula: C5H6ClN5 Molecular Weight (g/mol): 171.59 MDL Number: MFCD00038990 InChI Key: UQVDQSWZQXDUJB-UHFFFAOYSA-N Synonym: adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1 PubChem CID: 76219 IUPAC Name: 7H-purin-6-amine hydrochloride SMILES: Cl.NC1=C2NC=NC2=NC=N1

PubChem CID 76219
CAS 2922-28-3
Molecular Weight (g/mol) 171.59
MDL Number MFCD00038990
SMILES Cl.NC1=C2NC=NC2=NC=N1
Synonym adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1
IUPAC Name 7H-purin-6-amine hydrochloride
InChI Key UQVDQSWZQXDUJB-UHFFFAOYSA-N
Molecular Formula C5H6ClN5