2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-2-[(3,5-dimethylisoxazol-4-yl)methylthio]-4-keto-quinazoline-7-carboxylic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC=C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC=C

InChI

InChI=1S/C18H17N3O4S/c1-4-7-21-16(22)13-6-5-12(17(23)24)8-15(13)19-18(21)26-9-14-10(2)20-25-11(14)3/h4-6,8H,1,7,9H2,2-3H3,(H,23,24)