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

Systemtic Name: 3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(phenylcarbonyl)azepan-2-one Openeye Name: 1-benzoyl-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-azepan-2-one CAS Name: 1-benzoyl-3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-2-azepanone IUPAC Name: 1-benzoyl-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylazepan-2-one Traditional Name: 1-benzoyl-3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]azepan-2-one Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S2/c1-13-14(2)27-18-17(13)19(23-12-22-18)28-16-10-6-7-11-24(21(16)26)20(25)15-8-4-3-5-9-15/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3