methyl 2-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4C(=O)N3C5CC5)C(=O)OC

InChI

InChI=1S/C24H21N3O3S/c1-14-16-7-3-5-9-18(16)25-20(21(14)23(29)30-2)13-31-24-26-19-10-6-4-8-17(19)22(28)27(24)15-11-12-15/h3-10,15H,11-13H2,1-2H3