3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-1-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-1-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-7-(2-methylbenzyl)xanthine Formula: C23H23ClN4O3 MolecularWeight: 438.90672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)N(C(=O)N2C4=C(C=C(C=C4)OC)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=CC=C3C)C(=O)N(C(=O)N2C4=C(C=C(C=C4)OC)Cl)C

InChI

InChI=1S/C23H23ClN4O3/c1-5-19-25-21-20(27(19)13-15-9-7-6-8-14(15)2)22(29)26(3)23(30)28(21)18-11-10-16(31-4)12-17(18)24/h6-12H,5,13H2,1-4H3