3-(4-chlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one

Systemtic Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one Openeye Name: 7-(benzyloxymethyl)-3-(4-chlorophenyl)-8-ethyl-1-methyl-2H-purin-6-one CAS Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one IUPAC Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one Traditional Name: 7-(benzoxymethyl)-3-(4-chlorophenyl)-8-ethyl-1-methyl-2H-purin-6-one Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1COCC3=CC=CC=C3)C(=O)N(CN2C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1COCC3=CC=CC=C3)C(=O)N(CN2C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C22H23ClN4O2/c1-3-19-24-21-20(27(19)15-29-13-16-7-5-4-6-8-16)22(28)25(2)14-26(21)18-11-9-17(23)10-12-18/h4-12H,3,13-15H2,1-2H3