ethyl (2S)-2-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]-3-phenyl-propionic acid ethyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C19H23N5O5/c1-2-29-19(25)15(12-14-6-4-3-5-7-14)22-17-16(24(26)27)18(21-13-20-17)23-8-10-28-11-9-23/h3-7,13,15H,2,8-12H2,1H3,(H,20,21,22)/t15-/m0/s1