N-[4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]phenyl]-2-phenyl-cyclopropane-1-carboxamide

Systemtic Name: N-[4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]phenyl]-2-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]phenyl]-2-phenyl-cyclopropanecarboxamide CAS Name: N-[4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]phenyl]-2-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]phenyl]-2-phenylcyclopropane-1-carboxamide Traditional Name: N-[4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]phenyl]-2-phenyl-cyclopropanecarboxamide Formula: C27H25N7O3 MolecularWeight: 495.5325

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1C(C1C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H25N7O3/c35-26(23-16-22(23)18-4-2-1-3-5-18)32-20-8-6-19(7-9-20)24-12-13-29-27(33-24)30-15-14-28-25-11-10-21(17-31-25)34(36)37/h1-13,17,22-23H,14-16H2,(H,28,31)(H,32,35)(H,29,30,33)