4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-pyridylmethyl)butanamide CAS Name: 4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-pyridylmethyl)butyramide Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CCCN2C(=O)C3=C(C=CS3)NC2=S

InChI

InChI=1S/C16H16N4O2S2/c21-13(18-10-11-3-1-6-17-9-11)4-2-7-20-15(22)14-12(5-8-24-14)19-16(20)23/h1,3,5-6,8-9H,2,4,7,10H2,(H,18,21)(H,19,23)