Imidazopyrimidines

421 – 435 of 437 results

421

2'-Deoxyadenosine-5'-triphosphate disodium salt, 98%, Thermo Scientific™

CAS: 74299-50-6 Molecular Formula: C10H14N5Na2O12P3 Molecular Weight (g/mol): 535.15 MDL Number: MFCD00080335 InChI Key: JEKDCIBJADJZSK-DZVPOJRENA-L Synonym: 2'-deoxyadenosine-5'-triphosphate disodium salt PubChem CID: 131674273 IUPAC Name: disodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate SMILES: [Na+].[Na+].NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)OP(O)([O-])=O)O3)C2=NC=N1

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Specifications

PubChem CID	131674273
CAS	74299-50-6
Molecular Weight (g/mol)	535.15
MDL Number	MFCD00080335
SMILES	[Na+].[Na+].NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(=O)OP([O-])(=O)OP(O)([O-])=O)O3)C2=NC=N1
Synonym	2'-deoxyadenosine-5'-triphosphate disodium salt
IUPAC Name	disodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate
InChI Key	JEKDCIBJADJZSK-DZVPOJRENA-L
Molecular Formula	C10H14N5Na2O12P3

422

Theophylline-7-acetic acid, 98%, Thermo Scientific Chemicals

CAS: 652-37-9 Molecular Formula: C9H9N4NaO4 Molecular Weight (g/mol): 260.19 MDL Number: MFCD00022832 InChI Key: MSFVZSOKOXZSME-UHFFFAOYSA-M Synonym: acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid PubChem CID: 69550 IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid SMILES: [Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O

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Specifications

PubChem CID	69550
CAS	652-37-9
Molecular Weight (g/mol)	260.19
MDL Number	MFCD00022832
SMILES	[Na+].CN1C2=C(N(CC([O-])=O)C=N2)C(=O)N(C)C1=O
Synonym	acefylline,theophylline-7-acetic acid,acephylline,theophyllineacetic acid,carboxymethyltheophylline,7-carboxymethyl theophylline,7-theophyllinylacetic acid,theophyllin-7-ylacetic acid,7-theophyllinessigsaeure,7-theophyllineacetic acid
IUPAC Name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
InChI Key	MSFVZSOKOXZSME-UHFFFAOYSA-M
Molecular Formula	C9H9N4NaO4

423

6-Thioguanine, Tocris Bioscience™

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

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Specifications

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

424

Pentoxifylline, Thermo Scientific™

CAS: 5-6-6493 Molecular Formula: C13H18N4O3 Molecular Weight (g/mol): 278.31 InChI Key: BYPFEZZEUUWMEJ-UHFFFAOYSA-N Synonym: pentoxifylline,trental,oxpentifylline,pentoxifyllin,torental,pentoxyphylline,pentoxil,dimethyloxohexylxanthine,pentoxiphyllium,vazofirin PubChem CID: 4740 ChEBI: CHEBI:7986 IUPAC Name: 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione SMILES: CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

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Specifications

PubChem CID	4740
CAS	5-6-6493
Molecular Weight (g/mol)	278.31
ChEBI	CHEBI:7986
SMILES	CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
Synonym	pentoxifylline,trental,oxpentifylline,pentoxifyllin,torental,pentoxyphylline,pentoxil,dimethyloxohexylxanthine,pentoxiphyllium,vazofirin
IUPAC Name	3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
InChI Key	BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Molecular Formula	C13H18N4O3

425

3-Methylxanthine, 97%, Thermo Scientific™

CAS: 1076-22-8 Molecular Formula: C₆H₆N₄O₂ Molecular Weight (g/mol): 166.14 InChI Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC Name: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2

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Specifications

PubChem CID	70639
CAS	1076-22-8
Molecular Weight (g/mol)	166.14
ChEBI	CHEBI:62207
SMILES	CN1C2=C(C(=O)NC1=O)NC=N2
Synonym	3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817
IUPAC Name	3-methyl-7H-purine-2,6-dione
InChI Key	GMSNIKWWOQHZGF-UHFFFAOYSA-N
Molecular Formula	C₆H₆N₄O₂

426

Aminopurvalanol A, Tocris Bioscience™

CAS: 220792-57-4 Molecular Formula: C19H26ClN7O Molecular Weight (g/mol): 403.915 InChI Key: RAMROQQYRRQPDL-UHFFFAOYSA-N Synonym: d0dm5s,aminopurvalanol a and ng-97 PubChem CID: 9549304 IUPAC Name: 2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol SMILES: CC(C)C(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC(=C3)N)Cl)N=CN2C(C)C

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Specifications

PubChem CID	9549304
CAS	220792-57-4
Molecular Weight (g/mol)	403.915
SMILES	CC(C)C(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC(=C3)N)Cl)N=CN2C(C)C
Synonym	d0dm5s,aminopurvalanol a and ng-97
IUPAC Name	2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
InChI Key	RAMROQQYRRQPDL-UHFFFAOYSA-N
Molecular Formula	C19H26ClN7O

427

4-hydroxy-6-mercaptopyrazolo[3,4-d]pyrimidine, 98%, Thermo Scientific™

CAS: 24521-76-4 Molecular Formula: C₅H₄N₄OS Molecular Weight (g/mol): 168.18 MDL Number: MFCD00022782 InChI Key: SXRSXYWROQWSGJ-UHFFFAOYSA-N Synonym: 4-hydroxy-6-mercaptopyrazolo 3,4-d pyrimidine,6-mercapto-1h-pyrazolo 3,4-d pyrimidin-4-ol,4-hydroxy-6-mercapto-1h-pyrazolo 3,4-d pyrimidine,6-mercapto-4-hydroxy-1h-pyrazolo 3,4-d pyrimidine,6-sulfanyl-1h,4h,5h-pyrazolo 3,4-d pyrimidin-4-one,6-mercapto-1,5-dihydro-4h-pyrazolo 3,4-d pyrimidin-4-one,1,5,6,7-tetrahydro-6-thioxo-4h-pyrazolo 3,4-d pyrimidin-4-one,4h-pyrazolo 3,4-d pyrimidin-4-one, 1,5,6,7-tetrahydro-6-thioxo,4h-pyrazolo 3,4-d pyrimidin-4-one,1,5,6,7-tetrahydro-6-thioxo PubChem CID: 3034349 IUPAC Name: 6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: C1=C2C(=NC(=S)NC2=O)NN1

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Specifications

PubChem CID	3034349
CAS	24521-76-4
Molecular Weight (g/mol)	168.18
MDL Number	MFCD00022782
SMILES	C1=C2C(=NC(=S)NC2=O)NN1
Synonym	4-hydroxy-6-mercaptopyrazolo 3,4-d pyrimidine,6-mercapto-1h-pyrazolo 3,4-d pyrimidin-4-ol,4-hydroxy-6-mercapto-1h-pyrazolo 3,4-d pyrimidine,6-mercapto-4-hydroxy-1h-pyrazolo 3,4-d pyrimidine,6-sulfanyl-1h,4h,5h-pyrazolo 3,4-d pyrimidin-4-one,6-mercapto-1,5-dihydro-4h-pyrazolo 3,4-d pyrimidin-4-one,1,5,6,7-tetrahydro-6-thioxo-4h-pyrazolo 3,4-d pyrimidin-4-one,4h-pyrazolo 3,4-d pyrimidin-4-one, 1,5,6,7-tetrahydro-6-thioxo,4h-pyrazolo 3,4-d pyrimidin-4-one,1,5,6,7-tetrahydro-6-thioxo
IUPAC Name	6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key	SXRSXYWROQWSGJ-UHFFFAOYSA-N
Molecular Formula	C₅H₄N₄OS

428

7-Methyladenine 98%, Thermo Scientific™

CAS: 935-69-3 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.157 InChI Key: HCGHYQLFMPXSDU-UHFFFAOYSA-N Synonym: 7-methyladenine,7-methyl-7h-purin-6-amine,6-amino-7-methylpurine,n7-methyladenine,adenine, 7-methyl,7h-purin-6-amine, 7-methyl,7h-purin-6-amine, 7-methyl-9ci,7-methyl-7h-adenine,7-methyl-6-purinamine PubChem CID: 71593 ChEBI: CHEBI:28921 IUPAC Name: 7-methylpurin-6-amine SMILES: CN1C=NC2=C1C(=NC=N2)N

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Specifications

PubChem CID	71593
CAS	935-69-3
Molecular Weight (g/mol)	149.157
ChEBI	CHEBI:28921
SMILES	CN1C=NC2=C1C(=NC=N2)N
Synonym	7-methyladenine,7-methyl-7h-purin-6-amine,6-amino-7-methylpurine,n7-methyladenine,adenine, 7-methyl,7h-purin-6-amine, 7-methyl,7h-purin-6-amine, 7-methyl-9ci,7-methyl-7h-adenine,7-methyl-6-purinamine
IUPAC Name	7-methylpurin-6-amine
InChI Key	HCGHYQLFMPXSDU-UHFFFAOYSA-N
Molecular Formula	C6H7N5

429

Thermo Scientific Chemicals Meropenem trihydrate

CAS: 119478-56-7 Molecular Formula: C17H31N3O8S Molecular Weight (g/mol): 437.51 InChI Key: CTUAQTBUVLKNDJ-TXBRDXQXSA-N IUPAC Name: (4R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate SMILES: O.O.O.C[C@H](O)C1C2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O

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Specifications

CAS	119478-56-7
Molecular Weight (g/mol)	437.51
SMILES	O.O.O.C[C@H](O)C1C2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O
IUPAC Name	(4R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate
InChI Key	CTUAQTBUVLKNDJ-TXBRDXQXSA-N
Molecular Formula	C17H31N3O8S

430

7-(2-Chloroethyl)theophylline 98.0+%, TCI America™

CAS: 5878-61-5 Molecular Formula: C9H11ClN4O2 Molecular Weight (g/mol): 242.663 MDL Number: MFCD00005760 InChI Key: QCIARNIKNKKHFH-UHFFFAOYSA-N Synonym: 7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl PubChem CID: 1882 IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

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Specifications

PubChem CID	1882
CAS	5878-61-5
Molecular Weight (g/mol)	242.663
MDL Number	MFCD00005760
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
Synonym	7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl
IUPAC Name	7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
InChI Key	QCIARNIKNKKHFH-UHFFFAOYSA-N
Molecular Formula	C9H11ClN4O2

431

Diethyl [[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonate 95.0+%, TCI America™

CAS: 116384-53-3 Molecular Formula: C12H20N5O4P Molecular Weight (g/mol): 329.30 MDL Number: MFCD07783825 InChI Key: SACBMARVYGBCAK-UHFFFAOYSA-N Synonym: 9-[2-(Diethoxyphosphorylmethoxy)ethyl]adenine, [[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonic Acid Diethyl Ester PubChem CID: 472244 IUPAC Name: diethyl {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate SMILES: CCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCC

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Specifications

PubChem CID	472244
CAS	116384-53-3
Molecular Weight (g/mol)	329.30
MDL Number	MFCD07783825
SMILES	CCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCC
Synonym	9-[2-(Diethoxyphosphorylmethoxy)ethyl]adenine, [[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonic Acid Diethyl Ester
IUPAC Name	diethyl {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate
InChI Key	SACBMARVYGBCAK-UHFFFAOYSA-N
Molecular Formula	C12H20N5O4P

432

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

CAS: 274-95-3 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD06245377 InChI Key: INSWZAQOISIYDT-UHFFFAOYSA-N PubChem CID: 577018 IUPAC Name: imidazo[1,2-a]pyrimidine SMILES: C1=CN2C=CC=NC2=N1

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Specifications

PubChem CID	577018
CAS	274-95-3
Molecular Weight (g/mol)	119.13
MDL Number	MFCD06245377
SMILES	C1=CN2C=CC=NC2=N1
IUPAC Name	imidazo[1,2-a]pyrimidine
InChI Key	INSWZAQOISIYDT-UHFFFAOYSA-N
Molecular Formula	C6H5N3