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

Systemtic Name: 4-(2-hydroxyethylamino)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-pyridin-4-yl-pyrimidine-5-carboxamide Openeye Name: 4-(2-hydroxyethylamino)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-(4-pyridyl)pyrimidine-5-carboxamide CAS Name: 4-(2-hydroxyethylamino)-N-(4-methoxyphenyl)-6-(methylthio)-2-pyridin-4-yl-5-pyrimidinecarboxamide IUPAC Name: 4-(2-hydroxyethylamino)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide Traditional Name: 4-(2-hydroxyethylamino)-N-(4-methoxyphenyl)-6-(methylthio)-2-(4-pyridyl)pyrimidine-5-carboxamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=NC=C3)NCCO

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(N=C(N=C2SC)C3=CC=NC=C3)NCCO

InChI

InChI=1S/C20H21N5O3S/c1-28-15-5-3-14(4-6-15)23-19(27)16-18(22-11-12-26)24-17(25-20(16)29-2)13-7-9-21-10-8-13/h3-10,26H,11-12H2,1-2H3,(H,23,27)(H,22,24,25)