N-cyclohexyl-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[4-(tetrahydrofurfurylamino)quinazolin-2-yl]thio]acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4

InChI

InChI=1S/C21H28N4O2S/c26-19(23-15-7-2-1-3-8-15)14-28-21-24-18-11-5-4-10-17(18)20(25-21)22-13-16-9-6-12-27-16/h4-5,10-11,15-16H,1-3,6-9,12-14H2,(H,23,26)(H,22,24,25)