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

Systemtic Name: ethyl 4-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H26N8O4 MolecularWeight: 394.42884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NN3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N8O4/c1-3-28-16(25)22-8-6-21(7-9-22)15-13(24(26)27)14(17-12-18-15)19-23-10-4-20(2)5-11-23/h12H,3-11H2,1-2H3,(H,17,18,19)