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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one Openeye Name: 1-(4-chlorobenzoyl)-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-2-azepanone IUPAC Name: 1-(4-chlorobenzoyl)-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylazepan-2-one Traditional Name: 1-(4-chlorobenzoyl)-3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]azepan-2-one Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O2S2/c1-12-13(2)28-18-17(12)19(24-11-23-18)29-16-5-3-4-10-25(21(16)27)20(26)14-6-8-15(22)9-7-14/h6-9,11,16H,3-5,10H2,1-2H3