2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]ethanamide

Systemtic Name: 2-(3-azanyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]ethanamide Openeye Name: 2-(3-amino-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]acetamide CAS Name: 2-[(3-amino-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-[(3-chlorophenyl)methyl]acetamide IUPAC Name: 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]acetamide Traditional Name: 2-[(3-amino-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-chlorobenzyl)acetamide Formula: C21H17ClN4O2S2 MolecularWeight: 456.96828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCC4=CC(=CC=C4)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCC4=CC(=CC=C4)Cl)N

InChI

InChI=1S/C21H17ClN4O2S2/c22-15-8-4-5-13(9-15)10-24-17(27)12-30-21-25-19-18(20(28)26(21)23)16(11-29-19)14-6-2-1-3-7-14/h1-9,11H,10,12,23H2,(H,24,27)