N-[2-[(2S)-butan-2-yl]sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-[(1S)-1-methylpropyl]sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[2-[[(2S)-butan-2-yl]thio]-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[2-[(2S)-butan-2-yl]sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[4-keto-2-[[(1S)-1-methylpropyl]thio]-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3S/c1-4-11(3)26-18-21-15(19-13(23)5-2)14(17(25)22-18)20-16(24)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,20,24)(H2,19,21,22,23,25)/t11-/m0/s1