N-(4-ethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(4-ethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-(4-ethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-pyridyl)pyrimidine-5-carboxamide CAS Name: N-(4-ethylphenyl)-4-(methylamino)-6-(methylthio)-2-pyridin-4-yl-5-pyrimidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide Traditional Name: N-(4-ethylphenyl)-4-(methylamino)-6-(methylthio)-2-(4-pyridyl)pyrimidine-5-carboxamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=NC=C3)NC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=NC=C3)NC

InChI

InChI=1S/C20H21N5OS/c1-4-13-5-7-15(8-6-13)23-19(26)16-18(21-2)24-17(25-20(16)27-3)14-9-11-22-12-10-14/h5-12H,4H2,1-3H3,(H,23,26)(H,21,24,25)