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

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C24H24ClN3O3S2 MolecularWeight: 502.04866

Click to see the large picture

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)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O3S2/c1-4-12-28-23(31)19-14(2)15(3)32-20(19)26-24(28)33-18-7-5-6-13-27(22(18)30)21(29)16-8-10-17(25)11-9-16/h4,8-11,18H,1,5-7,12-13H2,2-3H3