2-ethyl-7-[(4-phenylmethoxyphenyl)methyl]-3H-purin-6-one

Systemtic Name: 2-ethyl-7-[(4-phenylmethoxyphenyl)methyl]-3H-purin-6-one Openeye Name: 7-[(4-benzyloxyphenyl)methyl]-2-ethyl-3H-purin-6-one CAS Name: 2-ethyl-7-[(4-phenylmethoxyphenyl)methyl]-3H-purin-6-one IUPAC Name: 2-ethyl-7-[(4-phenylmethoxyphenyl)methyl]-3H-purin-6-one Traditional Name: 7-(4-benzoxybenzyl)-2-ethyl-3H-purin-6-one Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-2-18-23-20-19(21(26)24-18)25(14-22-20)12-15-8-10-17(11-9-15)27-13-16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H,23,24,26)