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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-7-morpholin-4-ylcarbonyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[4-morpholinyl(oxo)methyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 3-benzyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C26H29N3O4S MolecularWeight: 479.59116

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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)N1CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCOCC3)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-26(2,3)22(30)17-34-25-27-21-15-19(23(31)28-11-13-33-14-12-28)9-10-20(21)24(32)29(25)16-18-7-5-4-6-8-18/h4-10,15H,11-14,16-17H2,1-3H3