1-(3-methylphenyl)-6-oxidanyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1-(3-methylphenyl)-6-oxidanyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 6-hydroxy-1-(m-tolyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 6-hydroxy-1-(3-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 6-hydroxy-1-(3-methylphenyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 6-hydroxy-1-(m-tolyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C20H20N3O3+ MolecularWeight: 350.3911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/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-/m1/s1