methyl 2-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H20N4O3S/c1-28-20(27)15-7-3-5-9-17(15)23-18(26)12-29-21-24-16-8-4-2-6-14(16)19(25-21)22-13-10-11-13/h2-9,13H,10-12H2,1H3,(H,23,26)(H,22,24,25)