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

Systemtic Name: tert-butyl 2-[[6-(4-cyclohexylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-cyclohexylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-(4-cyclohexyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(4-cyclohexylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-cyclohexylpiperazino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C21H34N6O4 MolecularWeight: 434.53246

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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)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C21H34N6O4/c1-21(2,3)31-17(28)14-24(4)19-18(27(29)30)20(23-15-22-19)26-12-10-25(11-13-26)16-8-6-5-7-9-16/h15-16H,5-14H2,1-4H3