5-cyclopropyl-2-(2-oxidanylidenecyclohexyl)sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-2-(2-oxidanylidenecyclohexyl)sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-cyclopropyl-2-(2-oxocyclohexyl)sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[(2-oxocyclohexyl)thio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-2-(2-oxocyclohexyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-cyclopropyl-2-[(2-ketocyclohexyl)thio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C21H20N2O2S2/c24-16-8-4-5-9-17(16)27-21-22-19-18(15(12-26-19)13-10-11-13)20(25)23(21)14-6-2-1-3-7-14/h1-3,6-7,12-13,17H,4-5,8-11H2