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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione Openeye Name: 7-(benzyloxymethyl)-3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione Traditional Name: 7-(benzoxymethyl)-3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-xanthine Formula: C23H23ClN4O4 MolecularWeight: 454.90612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1COCC3=CC=CC=C3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)OC)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1COCC3=CC=CC=C3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)OC)Cl)C

InChI

InChI=1S/C23H23ClN4O4/c1-4-19-25-21-20(27(19)14-32-13-15-8-6-5-7-9-15)22(29)26(2)23(30)28(21)18-11-10-16(31-3)12-17(18)24/h5-12H,4,13-14H2,1-3H3