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

Systemtic Name: N4-(6-butan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine Openeye Name: N4-(1-phenyl-6-sec-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine CAS Name: N4-(6-butan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)cyclohexane-1,4-diamine IUPAC Name: 4-N-(6-butan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-(1-phenyl-6-sec-butyl-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C21H28N6 MolecularWeight: 364.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4CCC(CC4)N

Isomeric SMILES

CCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)NC4CCC(CC4)N

InChI

InChI=1S/C21H28N6/c1-3-14(2)19-25-20(24-16-11-9-15(22)10-12-16)18-13-23-27(21(18)26-19)17-7-5-4-6-8-17/h4-8,13-16H,3,9-12,22H2,1-2H3,(H,24,25,26)