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

Systemtic Name: 3-methyl-N-[4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]phenyl]pyridin-1-ium-1-carboxamide Openeye Name: 3-methyl-N-[4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]phenyl]pyridin-1-ium-1-carboxamide CAS Name: 3-methyl-N-[4-[2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]phenyl]-1-pyridin-1-iumcarboxamide IUPAC Name: 3-methyl-N-[4-[2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]phenyl]pyridin-1-ium-1-carboxamide Traditional Name: 3-methyl-N-[4-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]phenyl]pyridin-1-ium-1-carboxamide Formula: C24H23N8O3+ MolecularWeight: 471.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N8O3/c1-17-3-2-14-31(16-17)24(33)29-19-6-4-18(5-7-19)21-10-11-26-23(30-21)27-13-12-25-22-9-8-20(15-28-22)32(34)35/h2-11,14-16H,12-13H2,1H3,(H2-,25,26,27,28,29,30,33)/p+1