5-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(2-methylphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(2-methylphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-hydroxy-1-(o-tolyl)-2-thioxo-pyrimidin-4-one CAS Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-6-hydroxy-1-(o-tolyl)-2-thioxo-pyrimidin-4-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3C(=O)C)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3C(=O)C)O

InChI

InChI=1S/C22H21N3O3S/c1-13-7-3-6-10-17(13)25-21(28)18(20(27)23-22(25)29)19-16-9-5-4-8-15(16)11-12-24(19)14(2)26/h3-10,19,28H,11-12H2,1-2H3,(H,23,27,29)