methyl 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C16H25N7O4 MolecularWeight: 379.4142

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C16H25N7O4/c1-20-7-9-22(10-8-20)19-14-13(23(25)26)15(18-11-17-14)21-5-3-12(4-6-21)16(24)27-2/h11-12H,3-10H2,1-2H3,(H,17,18,19)