ethyl 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C17H27N7O4 MolecularWeight: 393.44078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H27N7O4/c1-3-28-17(25)13-5-4-6-22(11-13)16-14(24(26)27)15(18-12-19-16)20-23-9-7-21(2)8-10-23/h12-13H,3-11H2,1-2H3,(H,18,19,20)