1-methyl-5-(3-methylbutyl)-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 1-methyl-5-(3-methylbutyl)-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 5-isopentyl-1-methyl-8-phenyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 1-methyl-5-(3-methylbutyl)-8-phenylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 1-methyl-5-(3-methylbutyl)-8-phenylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 5-isoamyl-1-methyl-8-phenyl-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:

CC(C)CCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O2/c1-11(2)9-10-23-13-15(25)19-18(26)22(3)16(13)24-14(20-21-17(23)24)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,19,25,26)