tert-butyl 2-[methyl-[5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-cinnamylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[methyl-[5-nitro-6-[4-(3-phenylprop-2-enyl)-1-piperazinyl]-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]amino]acetate Traditional Name: 2-[[6-(4-cinnamylpiperazino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C24H32N6O4 MolecularWeight: 468.54868

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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)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC=CC3=CC=CC=C3

InChI

InChI=1S/C24H32N6O4/c1-24(2,3)34-20(31)17-27(4)22-21(30(32)33)23(26-18-25-22)29-15-13-28(14-16-29)12-8-11-19-9-6-5-7-10-19/h5-11,18H,12-17H2,1-4H3