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

Systemtic Name: N-[6-azanyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(2-morpholin-4-ium-4-ylethylthio)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C19H26N5O4S+ MolecularWeight: 420.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC[NH+]3CCOCC3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC[NH+]3CCOCC3)N

InChI

InChI=1S/C19H25N5O4S/c1-2-28-14-5-3-13(4-6-14)17(25)21-15-16(20)22-19(23-18(15)26)29-12-9-24-7-10-27-11-8-24/h3-6H,2,7-12H2,1H3,(H,21,25)(H3,20,22,23,26)/p+1