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

Systemtic Name: methyl 4-[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3CC3

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3CC3

InChI

InChI=1S/C18H22N4O3S/c1-25-16(24)7-4-10-19-15(23)11-26-18-21-14-6-3-2-5-13(14)17(22-18)20-12-8-9-12/h2-3,5-6,12H,4,7-11H2,1H3,(H,19,23)(H,20,21,22)