7-[(3,4-dichlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)purine-2,6-dione

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)purine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-1-ethyl-3-(3-methoxyphenyl)purine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-1-ethyl-3-(3-methoxyphenyl)xanthine Formula: C21H18Cl2N4O3 MolecularWeight: 445.29862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H18Cl2N4O3/c1-3-26-20(28)18-19(27(21(26)29)14-5-4-6-15(10-14)30-2)24-12-25(18)11-13-7-8-16(22)17(23)9-13/h4-10,12H,3,11H2,1-2H3