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

Systemtic Name: 4-[4-[2,6-bis(azanyl)-7H-purin-8-yl]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-(2,6-diamino-7H-purin-8-yl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-(2,6-diamino-7H-purin-8-yl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2,6-diamino-7H-purin-8-yl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2,6-diamino-7H-purin-8-yl)piperidino]sulfonylbenzonitrile Formula: C17H18N8O2S MolecularWeight: 398.44222

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N8O2S/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)