dimethyl-[3-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propyl]azanium

Systemtic Name: dimethyl-[3-(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propyl]azanium Openeye Name: 3-(6-hydroxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)propyl-dimethyl-ammonium CAS Name: 3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl-dimethylammonium IUPAC Name: 3-(6-hydroxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl-dimethylazanium Traditional Name: 3-(6-hydroxy-4-keto-2-thioxo-1H-quinazolin-3-yl)propyl-dimethyl-ammonium Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)C2=C(C=CC(=C2)O)NC1=S

Isomeric SMILES

C[NH+](C)CCCN1C(=O)C2=C(C=CC(=C2)O)NC1=S

InChI

InChI=1S/C13H17N3O2S/c1-15(2)6-3-7-16-12(18)10-8-9(17)4-5-11(10)14-13(16)19/h4-5,8,17H,3,6-7H2,1-2H3,(H,14,19)/p+1