N-[4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]-4-methyl-pyridin-1-ium-1-carboxamide

Systemtic Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]-4-methyl-pyridin-1-ium-1-carboxamide Openeye Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-5-yl]-4-methyl-pyridin-1-ium-1-carboxamide CAS Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-5-pyrimidinyl]-4-methyl-1-pyridin-1-iumcarboxamide IUPAC Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-5-yl]-4-methylpyridin-1-ium-1-carboxamide Traditional Name: N-[4-(4-cyanophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-5-yl]-4-methyl-pyridin-1-ium-1-carboxamide Formula: C25H22N9O3+ MolecularWeight: 496.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=O)NC2=CN=C(N=C2C3=CC=C(C=C3)C#N)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C(=O)NC2=CN=C(N=C2C3=CC=C(C=C3)C#N)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N9O3/c1-17-8-12-33(13-9-17)25(35)31-21-16-30-24(32-23(21)19-4-2-18(14-26)3-5-19)28-11-10-27-22-7-6-20(15-29-22)34(36)37/h2-9,12-13,15-16H,10-11H2,1H3,(H2-,27,28,29,30,31,32,35)/p+1