N'-[5-imidazol-1-yl-4-(4-piperidin-1-ylphenyl)pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamine

Systemtic Name: N'-[5-imidazol-1-yl-4-(4-piperidin-1-ylphenyl)pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamine Openeye Name: N'-[5-imidazol-1-yl-4-[4-(1-piperidyl)phenyl]pyrimidin-2-yl]-N-(5-nitro-2-pyridyl)ethane-1,2-diamine CAS Name: N'-[5-(1-imidazolyl)-4-[4-(1-piperidinyl)phenyl]-2-pyrimidinyl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine IUPAC Name: N'-[5-imidazol-1-yl-4-(4-piperidin-1-ylphenyl)pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamine Traditional Name: [5-imidazol-1-yl-4-(4-piperidinophenyl)pyrimidin-2-yl]-[2-[(5-nitro-2-pyridyl)amino]ethyl]amine Formula: C25H27N9O2 MolecularWeight: 485.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NC(=NC=C3N4C=CN=C4)NCCNC5=NC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NC(=NC=C3N4C=CN=C4)NCCNC5=NC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N9O2/c35-34(36)21-8-9-23(29-16-21)27-10-11-28-25-30-17-22(33-15-12-26-18-33)24(31-25)19-4-6-20(7-5-19)32-13-2-1-3-14-32/h4-9,12,15-18H,1-3,10-11,13-14H2,(H,27,29)(H,28,30,31)