benzenesulfonic acid; [5-methyl-4-quinolin-7-yl-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-2-yl]methanol

Systemtic Name: benzenesulfonic acid; [5-methyl-4-quinolin-7-yl-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-2-yl]methanol Openeye Name: benzenesulfonic acid; [5-methyl-4-(7-quinolyl)-6-[[5-(trifluoromethyl)-2-pyridyl]amino]pyrimidin-2-yl]methanol CAS Name: benzenesulfonic acid; [5-methyl-4-(7-quinolinyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-pyrimidinyl]methanol IUPAC Name: benzenesulfonic acid; [5-methyl-4-quinolin-7-yl-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-2-yl]methanol Traditional Name: besylic acid; [5-methyl-4-(7-quinolyl)-6-[[5-(trifluoromethyl)-2-pyridyl]amino]pyrimidin-2-yl]methanol Formula: C27H22F3N5O4S MolecularWeight: 569.55489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1NC2=NC=C(C=C2)C(F)(F)F)CO)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N=C(N=C1NC2=NC=C(C=C2)C(F)(F)F)CO)C3=CC4=C(C=CC=N4)C=C3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H16F3N5O.C6H6O3S/c1-12-19(14-5-4-13-3-2-8-25-16(13)9-14)27-18(11-30)29-20(12)28-17-7-6-15(10-26-17)21(22,23)24;7-10(8,9)6-4-2-1-3-5-6/h2-10,30H,11H2,1H3,(H,26,27,28,29);1-5H,(H,7,8,9)