N-(3,4-dimethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-pyridyl)pyrimidine-5-carboxamide CAS Name: N-(3,4-dimethylphenyl)-4-(methylamino)-6-(methylthio)-2-pyridin-4-yl-5-pyrimidinecarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(methylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-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:

CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=NC=C3)NC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=NC=C3)NC)C

InChI

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