2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-morpholin-4-ylcarbonyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-morpholin-4-ylcarbonyl-3-phenyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-7-(morpholine-4-carbonyl)-3-phenyl-quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[4-morpholinyl(oxo)methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-7-(morpholine-4-carbonyl)-3-phenylquinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-7-(morpholine-4-carbonyl)-3-phenyl-quinazolin-4-one Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCOCC3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCOCC3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-25(2,3)21(29)16-33-24-26-20-15-17(22(30)27-11-13-32-14-12-27)9-10-19(20)23(31)28(24)18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3