4-[4-[[2-[(4-azanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[2-[(4-azanylcyclohexyl)amino]-9-propan-2-yl-purin-6-yl]amino]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-[[2-[(4-aminocyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[[2-[(4-aminocyclohexyl)amino]-9-propan-2-yl-6-purinyl]amino]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[[2-[(4-aminocyclohexyl)amino]-9-propan-2-ylpurin-6-yl]amino]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[[2-[(4-aminocyclohexyl)amino]-9-isopropyl-purin-6-yl]amino]piperidino]sulfonylbenzonitrile Formula: C26H35N9O2S MolecularWeight: 537.6802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N)NC5CCC(CC5)N

InChI

InChI=1S/C26H35N9O2S/c1-17(2)35-16-29-23-24(32-26(33-25(23)35)31-20-7-5-19(28)6-8-20)30-21-11-13-34(14-12-21)38(36,37)22-9-3-18(15-27)4-10-22/h3-4,9-10,16-17,19-21H,5-8,11-14,28H2,1-2H3,(H2,30,31,32,33)