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

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one Openeye Name: 7-(benzyloxymethyl)-3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)-2H-purin-6-one Traditional Name: 7-(benzoxymethyl)-3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-2H-purin-6-one Formula: C25H29ClN4O2 MolecularWeight: 452.97636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O2/c1-5-22-27-24-23(30(22)16-32-14-18-9-7-6-8-10-18)25(31)28(4)15-29(24)21-12-11-19(17(2)3)13-20(21)26/h6-13,17H,5,14-16H2,1-4H3