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

Systemtic Name: 3-methyl-6-oxidanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate Openeye Name: 3-methyl-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate CAS Name: 3-methyl-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate IUPAC Name: 3-methyl-6-oxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate Traditional Name: 6-keto-3-methyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate Formula: C14H14N3O3- MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N=C1[O-])C2C3=CC=CC=C3CC[NH2+]2)[O-]

Isomeric SMILES

CN1C(=C(C(=O)N=C1[O-])[C@@H]2C3=CC=CC=C3CC[NH2+]2)[O-]

InChI

InChI=1S/C14H15N3O3/c1-17-13(19)10(12(18)16-14(17)20)11-9-5-3-2-4-8(9)6-7-15-11/h2-5,11,15,19H,6-7H2,1H3,(H,16,18,20)/p-1/t11-/m0/s1