7-(phenylmethyl)-2-(pyridin-3-ylmethyl)-3H-purin-6-one

Systemtic Name: 7-(phenylmethyl)-2-(pyridin-3-ylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(3-pyridylmethyl)-3H-purin-6-one CAS Name: 7-(phenylmethyl)-2-(3-pyridinylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(pyridin-3-ylmethyl)-3H-purin-6-one Traditional Name: 7-benzyl-2-(3-pyridylmethyl)-3H-purin-6-one Formula: C18H15N5O MolecularWeight: 317.3446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)CC4=CN=CC=C4

InChI

InChI=1S/C18H15N5O/c24-18-16-17(20-12-23(16)11-13-5-2-1-3-6-13)21-15(22-18)9-14-7-4-8-19-10-14/h1-8,10,12H,9,11H2,(H,21,22,24)