4-methyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[2-[[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]ethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[2-[6-(4-methylpiperazino)pyrimidin-4-yl]oxyethyl]-3-nitro-benzamide Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCOC2=NC=NC(=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O4/c1-14-3-4-15(11-16(14)25(27)28)19(26)20-5-10-29-18-12-17(21-13-22-18)24-8-6-23(2)7-9-24/h3-4,11-13H,5-10H2,1-2H3,(H,20,26)