1-[(2-fluorophenyl)methyl]-3,9-dimethyl-7-(phenylmethyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3,9-dimethyl-7-(phenylmethyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 7-benzyl-1-[(2-fluorophenyl)methyl]-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3,9-dimethyl-7-(phenylmethyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 7-benzyl-1-[(2-fluorophenyl)methyl]-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 7-benzyl-1-(2-fluorobenzyl)-3,9-dimethyl-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C23H21FN6O2 MolecularWeight: 432.450243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)CC5=CC=CC=C5F

Isomeric SMILES

CC1=NN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)CC5=CC=CC=C5F

InChI

InChI=1S/C23H21FN6O2/c1-15-12-28-19-20(25-22(28)30(26-15)14-17-10-6-7-11-18(17)24)27(2)23(32)29(21(19)31)13-16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3