methyl 2-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-(phenylmethyl)amino]ethanoate

Systemtic Name: methyl 2-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-(phenylmethyl)amino]ethanoate Openeye Name: methyl 2-[benzyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]acetate CAS Name: 2-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]-(phenylmethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[benzyl-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]acetate Traditional Name: 2-[benzyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]acetic acid methyl ester Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC(=O)CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H21N5O5/c1-27-15(24)12-22(11-14-5-3-2-4-6-14)18-16(23(25)26)17(19-13-20-18)21-7-9-28-10-8-21/h2-6,13H,7-12H2,1H3