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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide Openeye Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-pyrimidin-5-yl]-2-furancarboxamide IUPAC Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-(2-piperidin-1-ium-1-ylethylthio)-1H-pyrimidin-5-yl]-2-furamide Formula: C16H22N5O3S+ MolecularWeight: 364.44258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H21N5O3S/c17-13-12(18-14(22)11-5-4-9-24-11)15(23)20-16(19-13)25-10-8-21-6-2-1-3-7-21/h4-5,9H,1-3,6-8,10H2,(H,18,22)(H3,17,19,20,23)/p+1