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

Systemtic Name: ethyl 2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C20H18N6O3S2/c1-2-29-19(28)14-12(11-6-4-3-5-7-11)8-30-18(14)24-13(27)9-31-20-25-15-16(21)22-10-23-17(15)26-20/h3-8,10H,2,9H2,1H3,(H,24,27)(H3,21,22,23,25,26)