3-(2-methylphenyl)-6-oxidanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate

Systemtic Name: 3-(2-methylphenyl)-6-oxidanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate Openeye Name: 3-(o-tolyl)-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate CAS Name: 3-(2-methylphenyl)-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate IUPAC Name: 3-(2-methylphenyl)-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate Traditional Name: 6-keto-3-(o-tolyl)-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate Formula: C20H18N3O3- MolecularWeight: 348.37522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C(=O)N=C2[O-])C3C4=CC=CC=C4CC[NH2+]3)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C(=O)N=C2[O-])[C@@H]3C4=CC=CC=C4CC[NH2+]3)[O-]

InChI

InChI=1S/C20H19N3O3/c1-12-6-2-5-9-15(12)23-19(25)16(18(24)22-20(23)26)17-14-8-4-3-7-13(14)10-11-21-17/h2-9,17,21,25H,10-11H2,1H3,(H,22,24,26)/p-1/t17-/m0/s1