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

Systemtic Name: ethyl 5-azanyl-4-(4-chlorophenyl)-2-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-2-benzylsulfanyl-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(4-chlorophenyl)-2-(phenylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-benzylsulfanyl-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(benzylthio)-4-(4-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H18ClN3O2S2 MolecularWeight: 455.98022

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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=CC=C(C=C4)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O2S2/c1-2-28-21(27)19-17(24)16-18(14-8-10-15(23)11-9-14)25-22(26-20(16)30-19)29-12-13-6-4-3-5-7-13/h3-11H,2,12,24H2,1H3