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

Systemtic Name: tert-butyl 2-[[6-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[4-(2-hydroxyphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[4-(2-hydroxyphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[4-(2-hydroxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C21H28N6O5 MolecularWeight: 444.48422

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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=CC=CC=C3O

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C21H28N6O5/c1-21(2,3)32-17(29)13-24(4)19-18(27(30)31)20(23-14-22-19)26-11-9-25(10-12-26)15-7-5-6-8-16(15)28/h5-8,14,28H,9-13H2,1-4H3