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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-morpholin-4-ylcarbonyl-3-phenethyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-7-(morpholine-4-carbonyl)-3-phenethyl-quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[4-morpholinyl(oxo)methyl]-3-phenethyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-7-(morpholine-4-carbonyl)-3-phenethylquinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-7-(morpholine-4-carbonyl)-3-phenethyl-quinazolin-4-one Formula: C27H31N3O4S MolecularWeight: 493.61774

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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)N1CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCOCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-27(2,3)23(31)18-35-26-28-22-17-20(24(32)29-13-15-34-16-14-29)9-10-21(22)25(33)30(26)12-11-19-7-5-4-6-8-19/h4-10,17H,11-16,18H2,1-3H3