6-(phenylmethyl)-3-pyridin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 6-(phenylmethyl)-3-pyridin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 6-benzyl-3-(4-pyridyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 6-(phenylmethyl)-3-pyridin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 6-benzyl-3-pyridin-4-yl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 6-benzyl-3-(4-pyridyl)-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C18H13N7O MolecularWeight: 343.34212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC=NC3=C4NN=C(N4C2=O)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC=NC3=C4NN=C(N4C2=O)C5=CC=NC=C5

InChI

InChI=1S/C18H13N7O/c26-18-24(10-12-4-2-1-3-5-12)16-14(20-11-21-16)17-23-22-15(25(17)18)13-6-8-19-9-7-13/h1-9,11,23H,10H2