N-[6-acetamido-4-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-acetamido-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-acetamido-4-oxo-2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-acetamido-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-acetamido-4-keto-2-(2-piperidin-1-ium-1-ylethylthio)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C18H24N5O3S2+ MolecularWeight: 422.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC[NH+]2CCCCC2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC[NH+]2CCCCC2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H23N5O3S2/c1-12(24)19-15-14(20-16(25)13-6-5-10-27-13)17(26)22-18(21-15)28-11-9-23-7-3-2-4-8-23/h5-6,10H,2-4,7-9,11H2,1H3,(H,20,25)(H2,19,21,22,24,26)/p+1