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

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-[4-(2-pyrimidinyl)-1-piperazinyl]-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-[4-(2-pyrimidyl)piperazino]pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C19H26N8O4 MolecularWeight: 430.46094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N8O4/c1-19(2,3)31-14(28)12-24(4)16-15(27(29)30)17(23-13-22-16)25-8-10-26(11-9-25)18-20-6-5-7-21-18/h5-7,13H,8-12H2,1-4H3