(5R)-1-(4-methylphenyl)-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-1-(4-methylphenyl)-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-(4-methylphenyl)-5-[3-(4-morpholin-4-iumyl)propyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-(4-methylphenyl)-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)[C@@H](C(=O)NC2=S)C=NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H24N4O3S/c1-14-3-5-15(6-4-14)23-18(25)16(17(24)21-19(23)27)13-20-7-2-8-22-9-11-26-12-10-22/h3-6,13,16H,2,7-12H2,1H3,(H,21,24,27)/p+1/t16-/m1/s1