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

Systemtic Name: methyl 2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[4-(cyclopropylamino)-2-quinazolinyl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(cyclopropylamino)quinazolin-2-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[4-(cyclopropylamino)quinazolin-2-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4C(=N3)NC5CC5)C(=O)OC

InChI

InChI=1S/C24H22N4O2S/c1-14-16-7-3-5-9-18(16)26-20(21(14)23(29)30-2)13-31-24-27-19-10-6-4-8-17(19)22(28-24)25-15-11-12-15/h3-10,15H,11-13H2,1-2H3,(H,25,27,28)