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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-8-(furan-2-ylmethoxy)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-8-(2-furylmethoxy)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-8-(2-furanylmethoxy)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-8-(furan-2-ylmethoxy)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-8-(2-furfuryloxy)-3,7-dimethyl-xanthine Formula: C19H16Cl2N4O4 MolecularWeight: 435.26074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C19H16Cl2N4O4/c1-23-15-16(22-18(23)29-10-12-4-3-7-28-12)24(2)19(27)25(17(15)26)9-11-5-6-13(20)14(21)8-11/h3-8H,9-10H2,1-2H3