N-[4-[4-(hydroxymethyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-(hydroxymethyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(hydroxymethyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(hydroxymethyl)-6-(3-methyl-1-pyrazolyl)-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(hydroxymethyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-methylol-6-(3-methylpyrazol-1-yl)pyrimidin-2-yl]thio]phenyl]propionamide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)N3C=CC(=N3)C)CO

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)N3C=CC(=N3)C)CO

InChI

InChI=1S/C18H19N5O2S/c1-3-17(25)19-13-4-6-15(7-5-13)26-18-20-14(11-24)10-16(21-18)23-9-8-12(2)22-23/h4-10,24H,3,11H2,1-2H3,(H,19,25)