2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-2-[[2-(dimethylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1CC=C

Isomeric SMILES

CN(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)O)C(=O)N1CC=C

InChI

InChI=1S/C16H17N3O4S/c1-4-7-19-14(21)11-6-5-10(15(22)23)8-12(11)17-16(19)24-9-13(20)18(2)3/h4-6,8H,1,7,9H2,2-3H3,(H,22,23)