ethyl 4-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)CN3CCOCC3

InChI

InChI=1S/C21H28N4O4S/c1-2-29-20(27)8-5-9-22-19(26)15-30-21-16-6-3-4-7-17(16)23-18(24-21)14-25-10-12-28-13-11-25/h3-4,6-7H,2,5,8-15H2,1H3,(H,22,26)