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

Systemtic Name: 8-(4-azanylbutylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(4-aminobutylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-aminobutylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(4-aminobutylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(4-aminobutylamino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C18H22Cl2N6O2 MolecularWeight: 425.31228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Cl2N6O2/c1-24-15-14(16(27)25(2)18(24)28)26(17(23-15)22-8-4-3-7-21)10-11-5-6-12(19)9-13(11)20/h5-6,9H,3-4,7-8,10,21H2,1-2H3,(H,22,23)