2-butyl-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-butyl-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-butyl-3H-purin-6-one CAS Name: 2-butyl-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-butyl-3H-purin-6-one Traditional Name: 7-benzyl-2-butyl-3H-purin-6-one Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3

InChI

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