3-[[(5R)-4,6-bis(oxidanylidene)-1-propan-2-yl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(5R)-4,6-bis(oxidanylidene)-1-propan-2-yl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethyl-azanium Openeye Name: 3-[[(5R)-1-isopropyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium CAS Name: 3-[[(5R)-4,6-dioxo-1-propan-2-yl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylammonium IUPAC Name: 3-[[(5R)-4,6-dioxo-1-propan-2-yl-2-sulfanylidene-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylazanium Traditional Name: 3-[[(5R)-1-isopropyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl]methyleneamino]propyl-dimethyl-ammonium Formula: C13H23N4O2S+ MolecularWeight: 299.41232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(C(=O)NC1=S)C=NCCC[NH+](C)C

Isomeric SMILES

CC(C)N1C(=O)[C@@H](C(=O)NC1=S)C=NCCC[NH+](C)C

InChI

InChI=1S/C13H22N4O2S/c1-9(2)17-12(19)10(11(18)15-13(17)20)8-14-6-5-7-16(3)4/h8-10H,5-7H2,1-4H3,(H,15,18,20)/p+1/t10-/m1/s1