4-[6-(1H-imidazol-2-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[6-(1H-imidazol-2-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[6-(1H-imidazol-2-yl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 4-[6-(1H-imidazol-2-yl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[6-(1H-imidazol-2-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 4-[6-(1H-imidazol-2-yl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Formula: C21H17N9O2 MolecularWeight: 427.41878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC(=NC(=N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])C4=NC=CN4

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC(=NC(=N2)NCCNC3=NC=C(C=C3)[N+](=O)[O-])C4=NC=CN4

InChI

InChI=1S/C21H17N9O2/c22-12-14-1-3-15(4-2-14)17-11-18(20-24-8-9-25-20)29-21(28-17)26-10-7-23-19-6-5-16(13-27-19)30(31)32/h1-6,8-9,11,13H,7,10H2,(H,23,27)(H,24,25)(H,26,28,29)