N-[6-acetamido-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-acetamido-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-(6-acetamido-2-isopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide CAS Name: N-[6-acetamido-2-(3-methylbutylthio)-4-oxo-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-acetamido-2-(3-methylbutylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-acetamido-2-(isoamylthio)-4-keto-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CCSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C16H20N4O3S2/c1-9(2)6-8-25-16-19-13(17-10(3)21)12(15(23)20-16)18-14(22)11-5-4-7-24-11/h4-5,7,9H,6,8H2,1-3H3,(H,18,22)(H2,17,19,20,21,23)