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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(2-piperidin-1-ium-1-ylethylthio)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC[NH+]3CCCCC3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC[NH+]3CCCCC3)N

InChI

InChI=1S/C20H27N5O3S/c1-2-28-15-8-6-14(7-9-15)18(26)22-16-17(21)23-20(24-19(16)27)29-13-12-25-10-4-3-5-11-25/h6-9H,2-5,10-13H2,1H3,(H,22,26)(H3,21,23,24,27)/p+1