N6-(4-piperidin-1-ylsulfonylphenyl)-7H-purine-2,6-diamine

Systemtic Name: N6-(4-piperidin-1-ylsulfonylphenyl)-7H-purine-2,6-diamine Openeye Name: N6-[4-(1-piperidylsulfonyl)phenyl]-7H-purine-2,6-diamine CAS Name: N6-[4-(1-piperidinylsulfonyl)phenyl]-7H-purine-2,6-diamine IUPAC Name: 6-N-(4-piperidin-1-ylsulfonylphenyl)-7H-purine-2,6-diamine Traditional Name: (2-amino-7H-purin-6-yl)-(4-piperidinosulfonylphenyl)amine Formula: C16H19N7O2S MolecularWeight: 373.43276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3NC=N4)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3NC=N4)N

InChI

InChI=1S/C16H19N7O2S/c17-16-21-14-13(18-10-19-14)15(22-16)20-11-4-6-12(7-5-11)26(24,25)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2,(H4,17,18,19,20,21,22)