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

Systemtic Name: N-[2-[(2S)-butan-2-yl]sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-[(1S)-1-methylpropyl]sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[2-[[(2S)-butan-2-yl]thio]-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-[(2S)-butan-2-yl]sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[4-keto-2-[[(1S)-1-methylpropyl]thio]-6-propionamido-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CS2

Isomeric SMILES

CC[C@H](C)SC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CS2

InChI

InChI=1S/C16H20N4O3S2/c1-4-9(3)25-16-19-13(17-11(21)5-2)12(15(23)20-16)18-14(22)10-7-6-8-24-10/h6-9H,4-5H2,1-3H3,(H,18,22)(H2,17,19,20,21,23)/t9-/m0/s1