8-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride

Systemtic Name: 8-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Openeye Name: 8-[1-(3,4-dichlorophenyl)sulfonyl-4-piperidyl]-7H-purine-2,6-diamine dihydrochloride CAS Name: 8-[1-(3,4-dichlorophenyl)sulfonyl-4-piperidinyl]-7H-purine-2,6-diamine dihydrochloride IUPAC Name: 8-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Traditional Name: [2-amino-8-[1-(3,4-dichlorophenyl)sulfonyl-4-piperidyl]-7H-purin-6-yl]amine dihydrochloride Formula: C16H19Cl4N7O2S MolecularWeight: 515.24476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl.Cl.Cl

Isomeric SMILES

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl.Cl.Cl

InChI

InChI=1S/C16H17Cl2N7O2S.2ClH/c17-10-2-1-9(7-11(10)18)28(26,27)25-5-3-8(4-6-25)14-21-12-13(19)22-16(20)24-15(12)23-14;;/h1-2,7-8H,3-6H2,(H5,19,20,21,22,23,24);2*1H