methyl 2-methyl-2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate

Systemtic Name: methyl 2-methyl-2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: methyl 2-methyl-2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate CAS Name: 2-methyl-2-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]propanoate Traditional Name: 2-methyl-2-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]propionic acid methyl ester Formula: C14H22N6O4 MolecularWeight: 338.36228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C

Isomeric SMILES

CC(C)(C(=O)OC)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C

InChI

InChI=1S/C14H22N6O4/c1-14(2,13(21)24-4)17-11-10(20(22)23)12(16-9-15-11)19-7-5-18(3)6-8-19/h9H,5-8H2,1-4H3,(H,15,16,17)