3-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 3-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 3-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Formula: C18H15N7O2 MolecularWeight: 361.3574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O2/c19-11-13-2-1-3-14(10-13)16-6-7-21-18(24-16)22-9-8-20-17-5-4-15(12-23-17)25(26)27/h1-7,10,12H,8-9H2,(H,20,23)(H,21,22,24)