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

Systemtic Name: 3-(2,4-dimethylphenyl)-5,6-dimethyl-2-(2-oxidanylideneazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-5,6-dimethyl-2-(2-oxoazepan-3-yl)sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2,4-dimethylphenyl)-5,6-dimethyl-2-[(2-oxo-3-azepanyl)thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2,4-dimethylphenyl)-5,6-dimethyl-2-(2-oxoazepan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[(2-ketoazepan-3-yl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SC4CCCCNC4=O)SC(=C3C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=C(N=C2SC4CCCCNC4=O)SC(=C3C)C)C

InChI

InChI=1S/C22H25N3O2S2/c1-12-8-9-16(13(2)11-12)25-21(27)18-14(3)15(4)28-20(18)24-22(25)29-17-7-5-6-10-23-19(17)26/h8-9,11,17H,5-7,10H2,1-4H3,(H,23,26)