2-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-dimethyl-azanium

Systemtic Name: 2-(7-methoxycarbonyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-dimethyl-azanium Openeye Name: 2-(7-methoxycarbonyl-4-oxo-2-thioxo-1H-quinazolin-3-yl)ethyl-dimethyl-ammonium CAS Name: 2-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-dimethylammonium IUPAC Name: 2-(7-methoxycarbonyl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl-dimethylazanium Traditional Name: 2-(7-carbomethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)ethyl-dimethyl-ammonium Formula: C14H18N3O3S+ MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

C[NH+](C)CCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

InChI

InChI=1S/C14H17N3O3S/c1-16(2)6-7-17-12(18)10-5-4-9(13(19)20-3)8-11(10)15-14(17)21/h4-5,8H,6-7H2,1-3H3,(H,15,21)/p+1