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

Systemtic Name: 1-heptyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 1-heptyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 1-heptyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 1-heptyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 1-heptyl-7,9-dimethyl-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCCCN1C2=NC3=C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H28N6O2/c1-4-5-6-7-11-14-28-21-23-19-18(20(29)26(3)22(30)25(19)2)27(21)15-17(24-28)16-12-9-8-10-13-16/h8-10,12-13H,4-7,11,14-15H2,1-3H3