N-[(3-methoxyphenyl)methyl]-4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide Openeye Name: N-[(3-methoxyphenyl)methyl]-4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzamide CAS Name: N-[(3-methoxyphenyl)methyl]-4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzamide Traditional Name: N-m-anisyl-4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzamide Formula: C26H25N7O4 MolecularWeight: 499.5212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N7O4/c1-37-22-4-2-3-18(15-22)16-31-25(34)20-7-5-19(6-8-20)23-11-12-28-26(32-23)29-14-13-27-24-10-9-21(17-30-24)33(35)36/h2-12,15,17H,13-14,16H2,1H3,(H,27,30)(H,31,34)(H,28,29,32)