N-[4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide

Systemtic Name: N-[4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C17H21N7O3 MolecularWeight: 371.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C17H21N7O3/c1-12(25)20-13-3-5-14(6-4-13)21-16-15(24(26)27)17(19-11-18-16)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H,20,25)(H,18,19,21)