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

Systemtic Name: tert-butyl 2-[[6-[4-(2-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[4-(2-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[4-(2-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[4-(2-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[4-(2-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C21H27ClN6O4 MolecularWeight: 462.92988

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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=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H27ClN6O4/c1-21(2,3)32-17(29)13-25(4)19-18(28(30)31)20(24-14-23-19)27-11-9-26(10-12-27)16-8-6-5-7-15(16)22/h5-8,14H,9-13H2,1-4H3