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

Systemtic Name: 1-(3-methylphenyl)-6-oxidanyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Openeye Name: 6-hydroxy-1-(m-tolyl)-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Traditional Name: 6-hydroxy-1-(m-tolyl)-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C20H20N3O2S+ MolecularWeight: 366.4567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CC[NH2+]3)O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)[C@@H]3C4=CC=CC=C4CC[NH2+]3)O

InChI

InChI=1S/C20H19N3O2S/c1-12-5-4-7-14(11-12)23-19(25)16(18(24)22-20(23)26)17-15-8-3-2-6-13(15)9-10-21-17/h2-8,11,17,21,25H,9-10H2,1H3,(H,22,24,26)/p+1/t17-/m0/s1