1,3-dimethyl-7,8-diphenyl-purino[7,8-b][1,2,4]triazine-2,4-dione

Systemtic Name: 1,3-dimethyl-7,8-diphenyl-purino[7,8-b][1,2,4]triazine-2,4-dione Openeye Name: 1,3-dimethyl-7,8-diphenyl-purino[7,8-b][1,2,4]triazine-2,4-dione CAS Name: 1,3-dimethyl-7,8-diphenylpurino[7,8-b][1,2,4]triazine-2,4-dione IUPAC Name: 1,3-dimethyl-7,8-diphenylpurino[7,8-b][1,2,4]triazine-2,4-dione Traditional Name: 1,3-dimethyl-7,8-diphenyl-purino[7,8-b][1,2,4]triazine-2,4-quinone Formula: C21H16N6O2 MolecularWeight: 384.39074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(=N2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(=N2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H16N6O2/c1-25-18-17(19(28)26(2)21(25)29)27-20(23-18)22-15(13-9-5-3-6-10-13)16(24-27)14-11-7-4-8-12-14/h3-12H,1-2H3