3-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methyl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methyl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methyl]-7-triazolo[4,5-d]pyrimidinone IUPAC Name: 3-[(2-fluorophenyl)methyl]-6-[(4-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2-fluorobenzyl)-6-(4-nitrobenzyl)triazolo[4,5-d]pyrimidin-7-one Formula: C18H13FN6O3 MolecularWeight: 380.332623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])N=N2)F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C(=O)N(C=N3)CC4=CC=C(C=C4)[N+](=O)[O-])N=N2)F

InChI

InChI=1S/C18H13FN6O3/c19-15-4-2-1-3-13(15)10-24-17-16(21-22-24)18(26)23(11-20-17)9-12-5-7-14(8-6-12)25(27)28/h1-8,11H,9-10H2