4-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C17H20N6O5 MolecularWeight: 388.3779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1COCCN1CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H20N6O5/c24-17(25)12-1-3-13(4-2-12)21-16-14(23(26)27)15(19-11-20-16)18-5-6-22-7-9-28-10-8-22/h1-4,11H,5-10H2,(H,24,25)(H2,18,19,20,21)