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

Systemtic Name: ethanedioic acid; N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-3-yl-pyrimidine-5-carboxamide Openeye Name: N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-2-(3-pyridyl)pyrimidine-5-carboxamide; oxalic acid CAS Name: N-(4-methoxyphenyl)-4-(methylamino)-6-(methylthio)-2-(3-pyridinyl)-5-pyrimidinecarboxamide; oxalic acid IUPAC Name: N-(4-methoxyphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-3-ylpyrimidine-5-carboxamide; oxalic acid Traditional Name: N-(4-methoxyphenyl)-4-(methylamino)-6-(methylthio)-2-(3-pyridyl)pyrimidine-5-carboxamide; oxalic acid Formula: C21H21N5O6S MolecularWeight: 471.48634

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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.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O2S.C2H2O4/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;3-1(4)2(5)6/h4-11H,1-3H3,(H,22,25)(H,20,23,24);(H,3,4)(H,5,6)