1-(2-methylphenyl)-6-oxidanyl-3-phenyl-2-sulfanylidene-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoyl]pyrimidin-4-one

Systemtic Name: 1-(2-methylphenyl)-6-oxidanyl-3-phenyl-2-sulfanylidene-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoyl]pyrimidin-4-one Openeye Name: 6-hydroxy-1-(o-tolyl)-3-phenyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-1-(2-methylphenyl)-5-[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]-3-phenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-1-(2-methylphenyl)-3-phenyl-2-sulfanylidene-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]pyrimidin-4-one Traditional Name: 6-hydroxy-1-(o-tolyl)-3-phenyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]-2-thioxo-pyrimidin-4-one Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)N(C2=S)C3=CC=CC=C3)C(=O)CC4C5=CC=CC=C5CCN4)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)N(C2=S)C3=CC=CC=C3)C(=O)CC4C5=CC=CC=C5CCN4)O

InChI

InChI=1S/C28H25N3O3S/c1-18-9-5-8-14-23(18)31-27(34)25(26(33)30(28(31)35)20-11-3-2-4-12-20)24(32)17-22-21-13-7-6-10-19(21)15-16-29-22/h2-14,22,29,34H,15-17H2,1H3