3-[[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[6-(2-aminopyrimidin-5-yl)-2-morpholino-pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[6-(2-amino-5-pyrimidinyl)-2-(4-morpholinyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[6-(2-aminopyrimidin-5-yl)-2-morpholino-pyrimidin-4-yl]amino]benzoic acid Formula: C19H19N7O3 MolecularWeight: 393.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=CC(=N2)NC3=CC=CC(=C3)C(=O)O)C4=CN=C(N=C4)N

Isomeric SMILES

C1COCCN1C2=NC(=CC(=N2)NC3=CC=CC(=C3)C(=O)O)C4=CN=C(N=C4)N

InChI

InChI=1S/C19H19N7O3/c20-18-21-10-13(11-22-18)15-9-16(23-14-3-1-2-12(8-14)17(27)28)25-19(24-15)26-4-6-29-7-5-26/h1-3,8-11H,4-7H2,(H,27,28)(H2,20,21,22)(H,23,24,25)