N4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Openeye Name: N4-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine CAS Name: N4-[1-(4-methylsulfonylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[1-(4-mesylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4CCC(CC4)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4CCC(CC4)N

InChI

InChI=1S/C18H22N6O2S/c1-27(25,26)15-8-6-14(7-9-15)24-18-16(10-22-24)17(20-11-21-18)23-13-4-2-12(19)3-5-13/h6-13H,2-5,19H2,1H3,(H,20,21,23)