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

Systemtic Name: 8-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Openeye Name: 8-[1-[(E)-styryl]sulfonyl-4-piperidyl]-7H-purine-2,6-diamine dihydrochloride CAS Name: 8-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]-7H-purine-2,6-diamine dihydrochloride IUPAC Name: 8-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine dihydrochloride Traditional Name: [2-amino-8-[1-[(E)-styryl]sulfonyl-4-piperidyl]-7H-purin-6-yl]amine dihydrochloride Formula: C18H23Cl2N7O2S MolecularWeight: 472.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=C(N2)C(=NC(=N3)N)N)S(=O)(=O)C=CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O2S.2ClH/c19-15-14-17(24-18(20)22-15)23-16(21-14)13-6-9-25(10-7-13)28(26,27)11-8-12-4-2-1-3-5-12;;/h1-5,8,11,13H,6-7,9-10H2,(H5,19,20,21,22,23,24);2*1H/b11-8+;;