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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

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