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

Systemtic Name: 3-methyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-(2-oxoazepan-3-yl)sulfanyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[(2-oxo-3-azepanyl)thio]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-(2-oxoazepan-3-yl)sulfanyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C17H17N3O2S3 MolecularWeight: 391.53078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SC3CCCCNC3=O)SC=C2C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SC3CCCCNC3=O)SC=C2C4=CC=CS4

InChI

InChI=1S/C17H17N3O2S3/c1-20-16(22)13-10(11-6-4-8-23-11)9-24-15(13)19-17(20)25-12-5-2-3-7-18-14(12)21/h4,6,8-9,12H,2-3,5,7H2,1H3,(H,18,21)