N-[4-[4-(hydroxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-(hydroxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(hydroxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(hydroxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(hydroxymethyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-methylol-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]propionamide Formula: C18H20N6O2S MolecularWeight: 384.4554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)CO

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)CO

InChI

InChI=1S/C18H20N6O2S/c1-3-17(26)19-12-4-6-14(7-5-12)27-18-20-13(10-25)9-15(22-18)21-16-8-11(2)23-24-16/h4-9,25H,3,10H2,1-2H3,(H,19,26)(H2,20,21,22,23,24)