3-cyclopentyl-5,6-dimethyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-cyclopentyl-5,6-dimethyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-cyclopentyl-5,6-dimethyl-2-phenacylsulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-cyclopentyl-5,6-dimethyl-2-(phenacylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-cyclopentyl-5,6-dimethyl-2-phenacylsulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-cyclopentyl-5,6-dimethyl-2-(phenacylthio)thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4CCCC4)C

InChI

InChI=1S/C21H22N2O2S2/c1-13-14(2)27-19-18(13)20(25)23(16-10-6-7-11-16)21(22-19)26-12-17(24)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3