3-cyclohexyl-5-cyclopropyl-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-cyclohexyl-5-cyclopropyl-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-cyclohexyl-5-cyclopropyl-2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-cyclohexyl-5-cyclopropyl-2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-cyclohexyl-5-cyclopropyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-cyclohexyl-5-cyclopropyl-2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C25H26N4O2S2 MolecularWeight: 478.62954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=C(C(=CS4)C5CC5)C(=O)N3C6CCCCC6)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=C(C(=CS4)C5CC5)C(=O)N3C6CCCCC6)C=C1

InChI

InChI=1S/C25H26N4O2S2/c1-15-7-10-20-26-17(11-21(30)28(20)12-15)13-33-25-27-23-22(19(14-32-23)16-8-9-16)24(31)29(25)18-5-3-2-4-6-18/h7,10-12,14,16,18H,2-6,8-9,13H2,1H3