ethyl 5-azanyl-2-(phenylmethylsulfanyl)-4-thiophen-3-yl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-(phenylmethylsulfanyl)-4-thiophen-3-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-benzylsulfanyl-4-(3-thienyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(phenylmethylthio)-4-(3-thiophenyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-benzylsulfanyl-4-thiophen-3-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(benzylthio)-4-(3-thienyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H17N3O2S3 MolecularWeight: 427.56288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC3=CC=CC=C3)C4=CSC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC3=CC=CC=C3)C4=CSC=C4)N

InChI

InChI=1S/C20H17N3O2S3/c1-2-25-19(24)17-15(21)14-16(13-8-9-26-11-13)22-20(23-18(14)28-17)27-10-12-6-4-3-5-7-12/h3-9,11H,2,10,21H2,1H3