N-(6-acetamido-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)thiophene-2-carboxamide

Systemtic Name: N-(6-acetamido-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)thiophene-2-carboxamide Openeye Name: N-(6-acetamido-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)thiophene-2-carboxamide CAS Name: N-[6-acetamido-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-(6-acetamido-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)thiophene-2-carboxamide Traditional Name: N-[6-acetamido-4-keto-2-(propargylthio)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC#C)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC#C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C14H12N4O3S2/c1-3-6-23-14-17-11(15-8(2)19)10(13(21)18-14)16-12(20)9-5-4-7-22-9/h1,4-5,7H,6H2,2H3,(H,16,20)(H2,15,17,18,19,21)