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

Systemtic Name: N-[6-acetamido-2-[(2S)-butan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-acetamido-2-[(1S)-1-methylpropyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-acetamido-2-[[(2S)-butan-2-yl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-2-[(2S)-butan-2-yl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-4-keto-2-[[(1S)-1-methylpropyl]thio]-1H-pyrimidin-5-yl]benzamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c1-4-10(2)25-17-20-14(18-11(3)22)13(16(24)21-17)19-15(23)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,19,23)(H2,18,20,21,22,24)/t10-/m0/s1