7-chloranyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 7-chloro-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 7-chloro-2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 7-chloro-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 7-chloro-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-(2-methoxyphenyl)quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

InChI

InChI=1S/C21H21ClN2O3S/c1-21(2,3)18(25)12-28-20-23-15-11-13(22)9-10-14(15)19(26)24(20)16-7-5-6-8-17(16)27-4/h5-11H,12H2,1-4H3