tert-butyl 3-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanoate

Systemtic Name: tert-butyl 3-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanoate Openeye Name: tert-butyl 3-[[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]propanoate CAS Name: 3-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]propanoate Traditional Name: 3-[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]propionic acid tert-butyl ester Formula: C20H27N7O4 MolecularWeight: 429.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)CCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H27N7O4/c1-20(2,3)31-16(28)7-9-22-18-17(27(29)30)19(24-14-23-18)26-12-10-25(11-13-26)15-6-4-5-8-21-15/h4-6,8,14H,7,9-13H2,1-3H3,(H,22,23,24)