4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-5-piperazin-1-ylcarbonyl-pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-5-piperazin-1-ylcarbonyl-pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-5-(piperazine-1-carbonyl)pyrimidin-4-yl]benzonitrile CAS Name: 4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-[oxo(1-piperazinyl)methyl]-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-5-(piperazine-1-carbonyl)pyrimidin-4-yl]benzonitrile Traditional Name: 4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-5-(piperazine-1-carbonyl)pyrimidin-4-yl]benzonitrile Formula: C23H23N9O3 MolecularWeight: 473.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CN=C(N=C2C3=CC=C(C=C3)C#N)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CN=C(N=C2C3=CC=C(C=C3)C#N)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N9O3/c24-13-16-1-3-17(4-2-16)21-19(22(33)31-11-9-25-10-12-31)15-29-23(30-21)27-8-7-26-20-6-5-18(14-28-20)32(34)35/h1-6,14-15,25H,7-12H2,(H,26,28)(H,27,29,30)