N-(4-fluorophenyl)-4-methylsulfanyl-6-(1-oxidanylbutan-2-ylamino)-2-pyridin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(4-fluorophenyl)-4-methylsulfanyl-6-(1-oxidanylbutan-2-ylamino)-2-pyridin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-(4-fluorophenyl)-4-[1-(hydroxymethyl)propylamino]-6-methylsulfanyl-2-(4-pyridyl)pyrimidine-5-carboxamide CAS Name: N-(4-fluorophenyl)-4-(1-hydroxybutan-2-ylamino)-6-(methylthio)-2-pyridin-4-yl-5-pyrimidinecarboxamide IUPAC Name: N-(4-fluorophenyl)-4-(1-hydroxybutan-2-ylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide Traditional Name: N-(4-fluorophenyl)-4-(1-methylolpropylamino)-6-(methylthio)-2-(4-pyridyl)pyrimidine-5-carboxamide Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C(=NC(=N1)C2=CC=NC=C2)SC)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCC(CO)NC1=C(C(=NC(=N1)C2=CC=NC=C2)SC)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN5O2S/c1-3-15(12-28)24-19-17(20(29)25-16-6-4-14(22)5-7-16)21(30-2)27-18(26-19)13-8-10-23-11-9-13/h4-11,15,28H,3,12H2,1-2H3,(H,25,29)(H,24,26,27)