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

Systemtic Name: 4-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 4-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(1H-imidazol-5-yl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 4-[5-(1H-imidazol-5-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=NC(=NC=C2C3=CN=CN3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2C3=CN=CN3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

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