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

Systemtic Name: 5-butyl-8-(4-methoxyphenyl)-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-butyl-8-(4-methoxyphenyl)-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 5-butyl-8-(4-methoxyphenyl)-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 5-butyl-8-(4-methoxyphenyl)-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-butyl-8-(4-methoxyphenyl)-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C18H20N6O3 MolecularWeight: 368.3898

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O3/c1-4-5-10-23-13-15(25)19-18(26)22(2)16(13)24-14(20-21-17(23)24)11-6-8-12(27-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,19,25,26)