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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-pyridylmethoxy)purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethoxy)purine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethoxy)purine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-1,3-dimethyl-8-(3-pyridylmethoxy)xanthine Formula: C20H17Cl2N5O3 MolecularWeight: 446.28668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CN=CC=C3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC3=CN=CC=C3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H17Cl2N5O3/c1-25-17-16(18(28)26(2)20(25)29)27(10-12-5-6-14(21)15(22)8-12)19(24-17)30-11-13-4-3-7-23-9-13/h3-9H,10-11H2,1-2H3