7-[(3-methylphenyl)methyl]-2-propyl-3H-purin-6-one

Systemtic Name: 7-[(3-methylphenyl)methyl]-2-propyl-3H-purin-6-one Openeye Name: 7-(m-tolylmethyl)-2-propyl-3H-purin-6-one CAS Name: 7-[(3-methylphenyl)methyl]-2-propyl-3H-purin-6-one IUPAC Name: 7-[(3-methylphenyl)methyl]-2-propyl-3H-purin-6-one Traditional Name: 7-(3-methylbenzyl)-2-propyl-3H-purin-6-one Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC(=C3)C

Isomeric SMILES

CCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC(=C3)C

InChI

InChI=1S/C16H18N4O/c1-3-5-13-18-15-14(16(21)19-13)20(10-17-15)9-12-7-4-6-11(2)8-12/h4,6-8,10H,3,5,9H2,1-2H3,(H,18,19,21)