4-[[5-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[5-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-methoxy-4-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-methoxy-4-[4-(2-pyridinyl)-1-piperazinyl]-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-methoxy-4-[4-(2-pyridyl)piperazino]pyrimidin-2-yl]amino]benzoic acid Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=N3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=N3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H22N6O3/c1-30-17-14-23-21(24-16-7-5-15(6-8-16)20(28)29)25-19(17)27-12-10-26(11-13-27)18-4-2-3-9-22-18/h2-9,14H,10-13H2,1H3,(H,28,29)(H,23,24,25)