7,9-dimethyl-1-pentyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 7,9-dimethyl-1-pentyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 7,9-dimethyl-1-pentyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 7,9-dimethyl-1-pentyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 7,9-dimethyl-1-pentyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 1-amyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H24N6O2/c1-4-5-9-12-26-19-21-17-16(18(27)24(3)20(28)23(17)2)25(19)13-15(22-26)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3