2-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-5,6-dimethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C27H24ClN3O3S2 MolecularWeight: 538.08076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C

InChI

InChI=1S/C27H24ClN3O3S2/c1-16-17(2)35-23-22(16)26(34)31(20-8-4-3-5-9-20)27(29-23)36-21-10-6-7-15-30(25(21)33)24(32)18-11-13-19(28)14-12-18/h3-5,8-9,11-14,21H,6-7,10,15H2,1-2H3