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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-pyridylmethylamino)purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(3-pyridylmethylamino)xanthine Formula: C20H18Cl2N6O2 MolecularWeight: 445.30192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CN=CC=C3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C20H18Cl2N6O2/c1-26-16-17(25-19(26)24-10-13-4-3-7-23-9-13)27(2)20(30)28(18(16)29)11-12-5-6-14(21)15(22)8-12/h3-9H,10-11H2,1-2H3,(H,24,25)