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

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione Openeye Name: 7-(benzyloxymethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(phenylmethoxymethyl)purine-2,6-dione Traditional Name: 7-(benzoxymethyl)-3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-xanthine Formula: C22H20Cl2N4O3 MolecularWeight: 459.3252

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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)Cl)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N4O3/c1-3-18-25-20-19(27(18)13-31-12-14-7-5-4-6-8-14)21(29)26(2)22(30)28(20)17-10-9-15(23)11-16(17)24/h4-11H,3,12-13H2,1-2H3