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

Systemtic Name: 5-butyl-1-methyl-8-(4-methylphenyl)purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-butyl-1-methyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 5-butyl-1-methyl-8-(4-methylphenyl)purino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 5-butyl-1-methyl-8-(4-methylphenyl)purino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-butyl-1-methyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C18H20N6O2 MolecularWeight: 352.3904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=C(C=C4)C

Isomeric SMILES

CCCCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=C(C=C4)C

InChI

InChI=1S/C18H20N6O2/c1-4-5-10-23-13-15(25)19-18(26)22(3)16(13)24-14(20-21-17(23)24)12-8-6-11(2)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,19,25,26)