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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-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-(phenylmethyl)-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-oxoquinazoline-7-carboxylic acid Traditional Name: 3-benzyl-2-[(3,5-dimethylisoxazol-4-yl)methylthio]-4-keto-quinazoline-7-carboxylic acid Formula: C22H19N3O4S MolecularWeight: 421.46896

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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)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S/c1-13-18(14(2)29-24-13)12-30-22-23-19-10-16(21(27)28)8-9-17(19)20(26)25(22)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,27,28)