2-(4-butoxyphenyl)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-(4-butoxyphenyl)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(4-butoxyphenyl)-3H-purin-6-one CAS Name: 2-(4-butoxyphenyl)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(4-butoxyphenyl)-3H-purin-6-one Traditional Name: 7-benzyl-2-(4-butoxyphenyl)-3H-purin-6-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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