6-chloranyl-2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[(4,5-dimethoxy-2-methyl-benzyl)thio]quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C)OC)OC

InChI

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