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

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-8-(2-furylmethylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-8-(2-furanylmethylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-8-(2-furfurylamino)-3,7-dimethyl-xanthine Formula: C19H17Cl2N5O3 MolecularWeight: 434.27598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC(=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C19H17Cl2N5O3/c1-24-15-16(23-18(24)22-9-12-4-3-7-29-12)25(2)19(28)26(17(15)27)10-11-5-6-13(20)14(21)8-11/h3-8H,9-10H2,1-2H3,(H,22,23)