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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCN)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCN)N(C(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)Cl)C

InChI

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