7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-3H-purin-6-one

Systemtic Name: 7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-3H-purin-6-one Openeye Name: 7-(p-tolylmethyl)-2-(3-pyridyl)-3H-purin-6-one CAS Name: 7-[(4-methylphenyl)methyl]-2-(3-pyridinyl)-3H-purin-6-one IUPAC Name: 7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-3H-purin-6-one Traditional Name: 7-(4-methylbenzyl)-2-(3-pyridyl)-3H-purin-6-one Formula: C18H15N5O MolecularWeight: 317.3446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C18H15N5O/c1-12-4-6-13(7-5-12)10-23-11-20-17-15(23)18(24)22-16(21-17)14-3-2-8-19-9-14/h2-9,11H,10H2,1H3,(H,21,22,24)