ethyl 2-[4-(butylamino)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(butylamino)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(butylamino)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(butylamino)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(butylamino)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)OCC

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)OCC

InChI

InChI=1S/C16H21N3O2S/c1-3-5-10-17-15-12-8-6-7-9-13(12)18-16(19-15)22-11-14(20)21-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,17,18,19)