4-oxidanylidene-2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylic acid Openeye Name: 4-oxo-2-[(4,6,8-trimethyl-2-quinolyl)sulfanylmethyl]-1H-quinazoline-7-carboxylic acid CAS Name: 4-oxo-2-[[(4,6,8-trimethyl-2-quinolinyl)thio]methyl]-1H-quinazoline-7-carboxylic acid IUPAC Name: 4-oxo-2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylic acid Traditional Name: 4-keto-2-[[(4,6,8-trimethyl-2-quinolyl)thio]methyl]-1H-quinazoline-7-carboxylic acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O)C)C

InChI

InChI=1S/C22H19N3O3S/c1-11-6-13(3)20-16(7-11)12(2)8-19(25-20)29-10-18-23-17-9-14(22(27)28)4-5-15(17)21(26)24-18/h4-9H,10H2,1-3H3,(H,27,28)(H,23,24,26)