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

Systemtic Name: 8-(2-azanylethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-7-(3,4-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C16H18Cl2N6O2 MolecularWeight: 397.25912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H18Cl2N6O2/c1-22-13-12(14(25)23(2)16(22)26)24(15(21-13)20-6-5-19)8-9-3-4-10(17)11(18)7-9/h3-4,7H,5-6,8,19H2,1-2H3,(H,20,21)