7-butyl-2-(3,5-dimethyl-4-phenylmethoxy-phenyl)-3H-purin-6-one

Systemtic Name: 7-butyl-2-(3,5-dimethyl-4-phenylmethoxy-phenyl)-3H-purin-6-one Openeye Name: 2-(4-benzyloxy-3,5-dimethyl-phenyl)-7-butyl-3H-purin-6-one CAS Name: 7-butyl-2-(3,5-dimethyl-4-phenylmethoxyphenyl)-3H-purin-6-one IUPAC Name: 7-butyl-2-(3,5-dimethyl-4-phenylmethoxyphenyl)-3H-purin-6-one Traditional Name: 2-(4-benzoxy-3,5-dimethyl-phenyl)-7-butyl-3H-purin-6-one Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N=C(N2)C3=CC(=C(C(=C3)C)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N=C(N2)C3=CC(=C(C(=C3)C)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H26N4O2/c1-4-5-11-28-15-25-23-20(28)24(29)27-22(26-23)19-12-16(2)21(17(3)13-19)30-14-18-9-7-6-8-10-18/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,26,27,29)