N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-3-(8-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-3-(8-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-3-(4-keto-8-methyl-quinazolin-3-yl)propionamide Formula: C25H28N4O2S MolecularWeight: 448.58042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H28N4O2S/c1-15-3-2-4-19-22(15)26-14-29(23(19)31)6-5-21(30)28-24-27-20(13-32-24)25-10-16-7-17(11-25)9-18(8-16)12-25/h2-4,13-14,16-18H,5-12H2,1H3,(H,27,28,30)