4-[4-[2,6-bis(azanyl)-7H-purin-8-yl]piperidin-1-yl]sulfonylbenzenecarbonitrile dihydrochloride

Systemtic Name: 4-[4-[2,6-bis(azanyl)-7H-purin-8-yl]piperidin-1-yl]sulfonylbenzenecarbonitrile dihydrochloride Openeye Name: 4-[[4-(2,6-diamino-7H-purin-8-yl)-1-piperidyl]sulfonyl]benzonitrile dihydrochloride CAS Name: 4-[[4-(2,6-diamino-7H-purin-8-yl)-1-piperidinyl]sulfonyl]benzonitrile dihydrochloride IUPAC Name: 4-[4-(2,6-diamino-7H-purin-8-yl)piperidin-1-yl]sulfonylbenzonitrile dihydrochloride Traditional Name: 4-[4-(2,6-diamino-7H-purin-8-yl)piperidino]sulfonylbenzonitrile dihydrochloride Formula: C17H20Cl2N8O2S MolecularWeight: 471.3641

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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)C#N.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H18N8O2S.2ClH/c18-9-10-1-3-12(4-2-10)28(26,27)25-7-5-11(6-8-25)15-21-13-14(19)22-17(20)24-16(13)23-15;;/h1-4,11H,5-8H2,(H5,19,20,21,22,23,24);2*1H