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

Systemtic Name: 2-(3-butoxyphenyl)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(3-butoxyphenyl)-3H-purin-6-one CAS Name: 2-(3-butoxyphenyl)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(3-butoxyphenyl)-3H-purin-6-one Traditional Name: 7-benzyl-2-(3-butoxyphenyl)-3H-purin-6-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2/c1-2-3-12-28-18-11-7-10-17(13-18)20-24-21-19(22(27)25-20)26(15-23-21)14-16-8-5-4-6-9-16/h4-11,13,15H,2-3,12,14H2,1H3,(H,24,25,27)