ethyl 2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(tetrahydrofurfurylamino)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3CCCO3

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3CCCO3

InChI

InChI=1S/C17H21N3O3S/c1-2-22-15(21)11-24-17-19-14-8-4-3-7-13(14)16(20-17)18-10-12-6-5-9-23-12/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,18,19,20)