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

Systemtic Name: tert-butyl 2-methyl-2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]propanoate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C17H28N6O4 MolecularWeight: 380.44202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N6O4/c1-16(2,3)27-15(24)17(4,5)20-13-12(23(25)26)14(19-11-18-13)22-9-7-21(6)8-10-22/h11H,7-10H2,1-6H3,(H,18,19,20)