1-methyl-5-(phenylmethyl)purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 1-methyl-5-(phenylmethyl)purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-benzyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 1-methyl-5-(phenylmethyl)purino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 5-benzyl-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-benzyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C14H12N6O2 MolecularWeight: 296.28408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C3=NN=CN23)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C3=NN=CN23)CC4=CC=CC=C4

InChI

InChI=1S/C14H12N6O2/c1-18-12-10(11(21)16-14(18)22)19(13-17-15-8-20(12)13)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,21,22)