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

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[[6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[methyl-[5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O4/c1-23(2,3)32-19(29)15-26(4)21-20(28(30)31)22(25-16-24-21)27-12-10-18(11-13-27)14-17-8-6-5-7-9-17/h5-9,16,18H,10-15H2,1-4H3