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

Systemtic Name: 5-butyl-8-(4-ethoxyphenyl)-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-butyl-8-(4-ethoxyphenyl)-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 5-butyl-8-(4-ethoxyphenyl)-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 5-butyl-8-(4-ethoxyphenyl)-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-butyl-1-methyl-8-p-phenetyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C19H22N6O3 MolecularWeight: 382.41638

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O3/c1-4-6-11-24-14-16(26)20-19(27)23(3)17(14)25-15(21-22-18(24)25)12-7-9-13(10-8-12)28-5-2/h7-10H,4-6,11H2,1-3H3,(H,20,26,27)