1,3-dimethyl-8H-purin-8-ide-2,6-dione; 4-methanidyl-2-(3-methylphenyl)pyridine; yttrium(3+)

Systemtic Name: 1,3-dimethyl-8H-purin-8-ide-2,6-dione; 4-methanidyl-2-(3-methylphenyl)pyridine; yttrium(3+) Openeye Name: 1,3-dimethyl-8H-purin-8-ide-2,6-dione; 4-methanidyl-2-(m-tolyl)pyridine; yttrium(3+) CAS Name: 1,3-dimethyl-8H-purin-8-ide-2,6-dione; 4-methanidyl-2-(3-methylphenyl)pyridine; yttrium(3+) IUPAC Name: 1,3-dimethyl-8H-purin-8-ide-2,6-dione; 4-methanidyl-2-(3-methylphenyl)pyridine; yttrium(3+) Traditional Name: 1,3-dimethyl-8H-purin-8-ide-2,6-quinone; 4-methanidyl-2-(m-tolyl)pyridine; yttrium(3+) Formula: C20H19N5O2Y+ MolecularWeight: 450.30301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=CC(=C2)[CH2-].CN1C2=N[CH-]N=C2C(=O)N(C1=O)C.[Y+3]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=CC(=C2)[CH2-].CN1C2=N[CH-]N=C2C(=O)N(C1=O)C.[Y+3]

InChI

InChI=1S/C13H12N.C7H7N4O2.Y/c1-10-4-3-5-12(8-10)13-9-11(2)6-7-14-13;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;/h3-9H,2H2,1H3;3H,1-2H3;/q2*-1;+3