benzenesulfonic acid; N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-3-yl-pyrimidine-5-carboxamide

Systemtic Name: benzenesulfonic acid; N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-3-yl-pyrimidine-5-carboxamide Openeye Name: benzenesulfonic acid; N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-2-(3-pyridyl)pyrimidine-5-carboxamide CAS Name: benzenesulfonic acid; N-(4-methoxyphenyl)-4-(methylamino)-6-(methylthio)-2-(3-pyridinyl)-5-pyrimidinecarboxamide IUPAC Name: benzenesulfonic acid; N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-3-ylpyrimidine-5-carboxamide Traditional Name: besylic acid; N-(4-methoxyphenyl)-4-(methylamino)-6-(methylthio)-2-(3-pyridyl)pyrimidine-5-carboxamide Formula: C25H25N5O5S2 MolecularWeight: 539.6265

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC(=N1)C2=CN=CC=C2)SC)C(=O)NC3=CC=C(C=C3)OC.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CNC1=C(C(=NC(=N1)C2=CN=CC=C2)SC)C(=O)NC3=CC=C(C=C3)OC.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H19N5O2S.C6H6O3S/c1-20-17-15(18(25)22-13-6-8-14(26-2)9-7-13)19(27-3)24-16(23-17)12-5-4-10-21-11-12;7-10(8,9)6-4-2-1-3-5-6/h4-11H,1-3H3,(H,22,25)(H,20,23,24);1-5H,(H,7,8,9)