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

Systemtic Name: N'-[5-imidazol-1-yl-4-(4-methylphenyl)pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamine Openeye Name: N'-[5-imidazol-1-yl-4-(p-tolyl)pyrimidin-2-yl]-N-(5-nitro-2-pyridyl)ethane-1,2-diamine CAS Name: N'-[5-(1-imidazolyl)-4-(4-methylphenyl)-2-pyrimidinyl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine IUPAC Name: N'-[5-imidazol-1-yl-4-(4-methylphenyl)pyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamine Traditional Name: [5-imidazol-1-yl-4-(p-tolyl)pyrimidin-2-yl]-[2-[(5-nitro-2-pyridyl)amino]ethyl]amine Formula: C21H20N8O2 MolecularWeight: 416.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N8O2/c1-15-2-4-16(5-3-15)20-18(28-11-10-22-14-28)13-26-21(27-20)24-9-8-23-19-7-6-17(12-25-19)29(30)31/h2-7,10-14H,8-9H2,1H3,(H,23,25)(H,24,26,27)