N-(1-adamantyl)-2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetamide Formula: C25H30ClN3O3S MolecularWeight: 488.042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30ClN3O3S/c26-18-3-4-20-21(9-18)27-24(29(23(20)31)13-19-2-1-5-32-19)33-14-22(30)28-25-10-15-6-16(11-25)8-17(7-15)12-25/h3-4,9,15-17,19H,1-2,5-8,10-14H2,(H,28,30)