1-[4-[[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O3/c1-12-4-3-9-22(10-12)18-16(23(25)26)17(19-11-20-18)21-15-7-5-14(6-8-15)13(2)24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,20,21)