methyl 3-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-(phenylmethyl)amino]propanoate

Systemtic Name: methyl 3-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-(phenylmethyl)amino]propanoate Openeye Name: methyl 3-[benzyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propanoate CAS Name: 3-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[benzyl-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]propanoate Traditional Name: 3-[benzyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propionic acid methyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O5/c1-28-16(25)7-8-23(13-15-5-3-2-4-6-15)19-17(24(26)27)18(20-14-21-19)22-9-11-29-12-10-22/h2-6,14H,7-13H2,1H3