7-chloranyl-3-(2-methoxyethyl)-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(2-methoxyethyl)-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-(2-methoxyethyl)-2-(4-oxo-4-phenyl-butyl)sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(2-methoxyethyl)-2-[(4-oxo-4-phenylbutyl)thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methoxyethyl)-2-(4-oxo-4-phenylbutyl)sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[(4-keto-4-phenyl-butyl)thio]-3-(2-methoxyethyl)quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC(=O)C3=CC=CC=C3

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3S/c1-27-12-11-24-20(26)17-10-9-16(22)14-18(17)23-21(24)28-13-5-8-19(25)15-6-3-2-4-7-15/h2-4,6-7,9-10,14H,5,8,11-13H2,1H3