7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-pyridin-3-yloxy-purine-2,6-dione

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-pyridin-3-yloxy-purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-pyridyloxy)purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-pyridinyloxy)purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-pyridin-3-yloxypurine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-1,3-dimethyl-8-(3-pyridyloxy)xanthine Formula: C19H15Cl2N5O3 MolecularWeight: 432.2601

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CN=CC=C3)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CN=CC=C3)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H15Cl2N5O3/c1-24-16-15(17(27)25(2)19(24)28)26(10-11-5-6-12(20)8-14(11)21)18(23-16)29-13-4-3-7-22-9-13/h3-9H,10H2,1-2H3