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

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-acetamido-4-oxo-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-acetamido-4-oxo-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-4-oxo-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-4-keto-2-(2-pyrrolidin-1-ium-1-ylethylthio)-1H-pyrimidin-5-yl]benzamide Formula: C19H24N5O3S+ MolecularWeight: 402.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)SCC[NH+]2CCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)SCC[NH+]2CCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3S/c1-13(25)20-16-15(21-17(26)14-7-3-2-4-8-14)18(27)23-19(22-16)28-12-11-24-9-5-6-10-24/h2-4,7-8H,5-6,9-12H2,1H3,(H,21,26)(H2,20,22,23,25,27)/p+1