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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-4-keto-2-(2-piperidin-1-ium-1-ylethylthio)-1H-pyrimidin-5-yl]benzamide Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c19-15-14(20-16(24)13-7-3-1-4-8-13)17(25)22-18(21-15)26-12-11-23-9-5-2-6-10-23/h1,3-4,7-8H,2,5-6,9-12H2,(H,20,24)(H3,19,21,22,25)/p+1