3-(4-chlorophenyl)-5,6-dimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-chlorophenyl)-5,6-dimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-chlorophenyl)-5,6-dimethyl-2-(2-oxoazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-chlorophenyl)-5,6-dimethyl-2-[(2-oxo-3-azepanyl)thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(4-chlorophenyl)-5,6-dimethyl-2-(2-oxoazepan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-chlorophenyl)-2-[(2-ketoazepan-3-yl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H20ClN3O2S2 MolecularWeight: 433.9747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCNC3=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC3CCCCNC3=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H20ClN3O2S2/c1-11-12(2)27-18-16(11)19(26)24(14-8-6-13(21)7-9-14)20(23-18)28-15-5-3-4-10-22-17(15)25/h6-9,15H,3-5,10H2,1-2H3,(H,22,25)