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

Systemtic Name: N4-[1-(3-chlorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Openeye Name: N4-[1-(3-chlorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine CAS Name: N4-[1-(3-chlorophenyl)-6-methyl-4-pyrazolo[3,4-d]pyrimidinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[1-(3-chlorophenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[1-(3-chlorophenyl)-6-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H21ClN6 MolecularWeight: 356.85254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=N1)NC4CCC(CC4)N

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=N1)NC4CCC(CC4)N

InChI

InChI=1S/C18H21ClN6/c1-11-22-17(24-14-7-5-13(20)6-8-14)16-10-21-25(18(16)23-11)15-4-2-3-12(19)9-15/h2-4,9-10,13-14H,5-8,20H2,1H3,(H,22,23,24)