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

Systemtic Name: N-[6-azanyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-4-keto-2-(2-morpholin-4-ium-4-ylethylthio)-1H-pyrimidin-5-yl]benzamide Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3S/c18-14-13(19-15(23)12-4-2-1-3-5-12)16(24)21-17(20-14)26-11-8-22-6-9-25-10-7-22/h1-5H,6-11H2,(H,19,23)(H3,18,20,21,24)/p+1