1-[4-methoxy-3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[[4-(2-oxolanylmethylamino)-2-quinazolinyl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[4-(tetrahydrofurfurylamino)quinazolin-2-yl]thio]methyl]phenyl]ethanone Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4

InChI

InChI=1S/C23H25N3O3S/c1-15(27)16-9-10-21(28-2)17(12-16)14-30-23-25-20-8-4-3-7-19(20)22(26-23)24-13-18-6-5-11-29-18/h3-4,7-10,12,18H,5-6,11,13-14H2,1-2H3,(H,24,25,26)