tert-butyl 2-[[6-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[benzyl-(2-ethoxy-2-oxo-ethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[(2-ethoxy-2-oxoethyl)-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[benzyl-(2-ethoxy-2-oxoethyl)amino]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[benzyl-(2-ethoxy-2-keto-ethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C22H29N5O6 MolecularWeight: 459.49556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N(C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N5O6/c1-6-32-17(28)14-26(12-16-10-8-7-9-11-16)21-19(27(30)31)20(23-15-24-21)25(5)13-18(29)33-22(2,3)4/h7-11,15H,6,12-14H2,1-5H3