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

Systemtic Name: 7,9-dimethyl-1-octyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 7,9-dimethyl-1-octyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 7,9-dimethyl-1-octyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 7,9-dimethyl-1-octyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 7,9-dimethyl-1-octyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C23H30N6O2 MolecularWeight: 422.5233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCCCCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H30N6O2/c1-4-5-6-7-8-12-15-29-22-24-20-19(21(30)27(3)23(31)26(20)2)28(22)16-18(25-29)17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3