2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethylazanium

Systemtic Name: 2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethylazanium Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]ethylammonium CAS Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylthio]ethylammonium IUPAC Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]ethylazanium Traditional Name: 2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methylthio]ethylammonium Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC[NH3+])OC

InChI

InChI=1S/C13H17N3O3S/c1-18-10-5-8-9(6-11(10)19-2)15-12(16-13(8)17)7-20-4-3-14/h5-6H,3-4,7,14H2,1-2H3,(H,15,16,17)/p+1