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

Systemtic Name: 9-(phenylmethyl)-6-propyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 9-benzyl-6-propyl-3-(4-pyridyl)-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 9-(phenylmethyl)-6-propyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 9-benzyl-6-propyl-3-pyridin-4-yl-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 9-benzyl-6-propyl-3-(4-pyridyl)-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C21H19N7O MolecularWeight: 385.42186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=NC=C4)N(C=N2)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=NC=C4)N(C=N2)CC5=CC=CC=C5

InChI

InChI=1S/C21H19N7O/c1-2-12-27-19-17(26(14-23-19)13-15-6-4-3-5-7-15)20-25-24-18(28(20)21(27)29)16-8-10-22-11-9-16/h3-11,14H,2,12-13H2,1H3