3-methyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-(2-oxoazepan-3-yl)sulfanyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[(2-oxo-3-azepanyl)thio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-(2-oxoazepan-3-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SC3CCCCNC3=O)SC=C2C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SC3CCCCNC3=O)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2S2/c1-22-18(24)15-13(12-7-3-2-4-8-12)11-25-17(15)21-19(22)26-14-9-5-6-10-20-16(14)23/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,20,23)