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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(2-pyrrolidin-1-ium-1-ylethylthio)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC[NH+]3CCCC3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC[NH+]3CCCC3)N

InChI

InChI=1S/C19H25N5O3S/c1-2-27-14-7-5-13(6-8-14)17(25)21-15-16(20)22-19(23-18(15)26)28-12-11-24-9-3-4-10-24/h5-8H,2-4,9-12H2,1H3,(H,21,25)(H3,20,22,23,26)/p+1