4-[[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(3-morpholin-4-ylpropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[3-(4-morpholinyl)propylamino]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(3-morpholin-4-ylpropylamino)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H22N6O5 MolecularWeight: 402.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1COCCN1CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H22N6O5/c25-18(26)13-2-4-14(5-3-13)22-17-15(24(27)28)16(20-12-21-17)19-6-1-7-23-8-10-29-11-9-23/h2-5,12H,1,6-11H2,(H,25,26)(H2,19,20,21,22)