N4-[6-ethyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-[6-ethyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Openeye Name: N4-[6-ethyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine CAS Name: N4-[6-ethyl-1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[6-ethyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[6-ethyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C20H26N6 MolecularWeight: 350.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC=C(C=C3)C)C(=N1)NC4CCC(CC4)N

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC=C(C=C3)C)C(=N1)NC4CCC(CC4)N

InChI

InChI=1S/C20H26N6/c1-3-18-24-19(23-15-8-6-14(21)7-9-15)17-12-22-26(20(17)25-18)16-10-4-13(2)5-11-16/h4-5,10-12,14-15H,3,6-9,21H2,1-2H3,(H,23,24,25)