ethyl 4-[(6-methyl-2-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5/c1-3-28-17(24)13-4-6-14(7-5-13)20-16-15(23(25)26)12(2)19-18(21-16)22-8-10-27-11-9-22/h4-7H,3,8-11H2,1-2H3,(H,19,20,21)