ethyl 2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H21N7O4S2 MolecularWeight: 511.57664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C22H21N7O4S2/c1-3-33-21(32)14-11(2)16(19(31)26-12-7-5-4-6-8-12)35-20(14)27-13(30)9-34-22-28-15-17(23)24-10-25-18(15)29-22/h4-8,10H,3,9H2,1-2H3,(H,26,31)(H,27,30)(H3,23,24,25,28,29)