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

Systemtic Name: 7-[(3-chlorophenyl)methyl]-2-pyridin-3-yl-3H-purin-6-one Openeye Name: 7-[(3-chlorophenyl)methyl]-2-(3-pyridyl)-3H-purin-6-one CAS Name: 7-[(3-chlorophenyl)methyl]-2-(3-pyridinyl)-3H-purin-6-one IUPAC Name: 7-[(3-chlorophenyl)methyl]-2-pyridin-3-yl-3H-purin-6-one Traditional Name: 7-(3-chlorobenzyl)-2-(3-pyridyl)-3H-purin-6-one Formula: C17H12ClN5O MolecularWeight: 337.76308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN5O/c18-13-5-1-3-11(7-13)9-23-10-20-16-14(23)17(24)22-15(21-16)12-4-2-6-19-8-12/h1-8,10H,9H2,(H,21,22,24)