3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexyl]methyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexyl]methyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]cyclohexyl]methyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=S)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=S)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C23H25N3O2S2/c27-21(25-11-9-16-3-1-2-4-18(16)14-25)17-7-5-15(6-8-17)13-26-22(28)20-19(10-12-30-20)24-23(26)29/h1-4,10,12,15,17H,5-9,11,13-14H2,(H,24,29)