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

Systemtic Name: N-(2,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-(4-pyridyl)pyrimidine-5-carboxamide CAS Name: N-(2,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-(methylthio)-2-pyridin-4-yl-5-pyrimidinecarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-(methylthio)-2-(4-pyridyl)pyrimidine-5-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-13-4-5-16(14(2)12-13)24-20(28)17-19(23-10-11-27)25-18(26-21(17)29-3)15-6-8-22-9-7-15/h4-9,12,27H,10-11H2,1-3H3,(H,24,28)(H,23,25,26)