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

Systemtic Name: 2-methylpropyl 4-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-morpholino-5-nitro-pyrimidin-4-yl)amino]benzoic acid isobutyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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