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

Systemtic Name: tert-butyl 2-methyl-2-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanoate Openeye Name: tert-butyl 2-methyl-2-[[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]propanoate CAS Name: 2-methyl-2-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-2-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanoate Traditional Name: 2-methyl-2-[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]propionic acid tert-butyl ester Formula: C21H29N7O4 MolecularWeight: 443.49946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)NC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H29N7O4/c1-20(2,3)32-19(29)21(4,5)25-17-16(28(30)31)18(24-14-23-17)27-12-10-26(11-13-27)15-8-6-7-9-22-15/h6-9,14H,10-13H2,1-5H3,(H,23,24,25)