N-[(3-chlorophenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanamide Openeye Name: N-[(3-chlorophenyl)methyl]-6-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)hexanamide CAS Name: N-[(3-chlorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanamide Traditional Name: N-(3-chlorobenzyl)-6-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)hexanamide Formula: C19H20ClN3O2S2 MolecularWeight: 421.964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)CCCCCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C19H20ClN3O2S2/c20-14-6-4-5-13(11-14)12-21-16(24)7-2-1-3-9-23-18(25)17-15(8-10-27-17)22-19(23)26/h4-6,8,10-11H,1-3,7,9,12H2,(H,21,24)(H,22,26)