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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one Openeye Name: 7-(benzyloxymethyl)-3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one Traditional Name: 7-(benzoxymethyl)-3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-2H-purin-6-one Formula: C23H25ClN4O3 MolecularWeight: 440.9226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O3/c1-4-20-25-22-21(28(20)15-31-13-16-8-6-5-7-9-16)23(29)26(2)14-27(22)19-11-10-17(30-3)12-18(19)24/h5-12H,4,13-15H2,1-3H3