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

Systemtic Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione Openeye Name: 7-(benzyloxymethyl)-3-(4-chlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione IUPAC Name: 3-(4-chlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione Traditional Name: 7-(benzoxymethyl)-3-(4-chlorophenyl)-8-ethyl-1-methyl-xanthine Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3/c1-3-18-24-20-19(26(18)14-30-13-15-7-5-4-6-8-15)21(28)25(2)22(29)27(20)17-11-9-16(23)10-12-17/h4-12H,3,13-14H2,1-2H3