N-[4-methyl-3-[[4-(1-oxidanidylpyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide

Systemtic Name: N-[4-methyl-3-[[4-(1-oxidanidylpyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide Openeye Name: N-[4-methyl-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: N-[4-methyl-3-[[4-(1-oxido-3-pyridin-1-iumyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: N-[4-methyl-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide Traditional Name: N-[4-methyl-3-[[4-(1-oxidopyridin-1-ium-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C23H19N5O2 MolecularWeight: 397.42926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)NC3=NC=CC(=N3)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)NC3=NC=CC(=N3)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C23H19N5O2/c1-16-9-10-19(25-22(29)17-6-3-2-4-7-17)14-21(16)27-23-24-12-11-20(26-23)18-8-5-13-28(30)15-18/h2-15H,1H3,(H,25,29)(H,24,26,27)