N4-[6-butan-2-yl-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-[6-butan-2-yl-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Openeye Name: N4-[1-(2-chlorophenyl)-6-sec-butyl-pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine CAS Name: N4-[6-butan-2-yl-1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[6-butan-2-yl-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[1-(2-chlorophenyl)-6-sec-butyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H27ClN6 MolecularWeight: 398.93228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=N1)NC4CCC(CC4)N

Isomeric SMILES

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=N1)NC4CCC(CC4)N

InChI

InChI=1S/C21H27ClN6/c1-3-13(2)19-26-20(25-15-10-8-14(23)9-11-15)16-12-24-28(21(16)27-19)18-7-5-4-6-17(18)22/h4-7,12-15H,3,8-11,23H2,1-2H3,(H,25,26,27)