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

Systemtic Name: N-(4-methylphenyl)-4-methylsulfanyl-6-(1-oxidanylbutan-2-ylamino)-2-pyridin-4-yl-pyrimidine-5-carboxamide Openeye Name: 4-[1-(hydroxymethyl)propylamino]-6-methylsulfanyl-N-(p-tolyl)-2-(4-pyridyl)pyrimidine-5-carboxamide CAS Name: 4-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)-6-(methylthio)-2-pyridin-4-yl-5-pyrimidinecarboxamide IUPAC Name: 4-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide Traditional Name: 4-(1-methylolpropylamino)-6-(methylthio)-N-(p-tolyl)-2-(4-pyridyl)pyrimidine-5-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/c1-4-16(13-28)24-20-18(21(29)25-17-7-5-14(2)6-8-17)22(30-3)27-19(26-20)15-9-11-23-12-10-15/h5-12,16,28H,4,13H2,1-3H3,(H,25,29)(H,24,26,27)