N-(naphthalen-1-ylmethyl)-4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(naphthalen-1-ylmethyl)-4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide Openeye Name: N-(1-naphthylmethyl)-4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzamide CAS Name: N-(1-naphthalenylmethyl)-4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-(naphthalen-1-ylmethyl)-4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide Traditional Name: N-(1-naphthylmethyl)-4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzamide Formula: C29H25N7O3 MolecularWeight: 519.5539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=CC=C(C=C3)C4=NC(=NC=C4)NCCNC5=NC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=CC=C(C=C3)C4=NC(=NC=C4)NCCNC5=NC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H25N7O3/c37-28(34-18-23-6-3-5-20-4-1-2-7-25(20)23)22-10-8-21(9-11-22)26-14-15-31-29(35-26)32-17-16-30-27-13-12-24(19-33-27)36(38)39/h1-15,19H,16-18H2,(H,30,33)(H,34,37)(H,31,32,35)