4-[5-morpholin-4-ylcarbonyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[5-morpholin-4-ylcarbonyl-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[5-(morpholine-4-carbonyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 4-[5-[4-morpholinyl(oxo)methyl]-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(morpholine-4-carbonyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 4-[5-(morpholine-4-carbonyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Formula: C23H22N8O4 MolecularWeight: 474.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CN=C(N=C2C3=CC=C(C=C3)C#N)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)C2=CN=C(N=C2C3=CC=C(C=C3)C#N)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N8O4/c24-13-16-1-3-17(4-2-16)21-19(22(32)30-9-11-35-12-10-30)15-28-23(29-21)26-8-7-25-20-6-5-18(14-27-20)31(33)34/h1-6,14-15H,7-12H2,(H,25,27)(H,26,28,29)