1-methyl-8-phenyl-5-propan-2-yl-purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 1-methyl-8-phenyl-5-propan-2-yl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-isopropyl-1-methyl-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 1-methyl-8-phenyl-5-propan-2-ylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 1-methyl-8-phenyl-5-propan-2-ylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-isopropyl-1-methyl-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=CC=C4

InChI

InChI=1S/C16H16N6O2/c1-9(2)21-11-13(23)17-16(24)20(3)14(11)22-12(18-19-15(21)22)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,23,24)