(6-methyl-4-oxidanylidene-5-pyridin-1-ium-4-ylsulfanyl-1H-quinazolin-2-yl)azanium dichloride

Systemtic Name: (6-methyl-4-oxidanylidene-5-pyridin-1-ium-4-ylsulfanyl-1H-quinazolin-2-yl)azanium dichloride Openeye Name: (6-methyl-4-oxo-5-pyridin-1-ium-4-ylsulfanyl-1H-quinazolin-2-yl)ammonium dichloride CAS Name: [6-methyl-4-oxo-5-(4-pyridin-1-iumylthio)-1H-quinazolin-2-yl]ammonium dichloride IUPAC Name: (6-methyl-4-oxo-5-pyridin-1-ium-4-ylsulfanyl-1H-quinazolin-2-yl)azanium dichloride Traditional Name: [4-keto-6-methyl-5-(pyridin-1-ium-4-ylthio)-1H-quinazolin-2-yl]ammonium dichloride Formula: C14H14Cl2N4OS MolecularWeight: 357.25816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=NC2=O)[NH3+])SC3=CC=[NH+]C=C3.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=NC2=O)[NH3+])SC3=CC=[NH+]C=C3.[Cl-].[Cl-]

InChI

InChI=1S/C14H12N4OS.2ClH/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9;;/h2-7H,1H3,(H3,15,17,18,19);2*1H