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

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(4,5-dimethoxy-2-methyl-benzyl)thio]quinazolin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=NC3=CC=CC=C3C(=O)N2CC=C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=NC3=CC=CC=C3C(=O)N2CC=C)OC)OC

InChI

InChI=1S/C21H22N2O3S/c1-5-10-23-20(24)16-8-6-7-9-17(16)22-21(23)27-13-15-12-19(26-4)18(25-3)11-14(15)2/h5-9,11-12H,1,10,13H2,2-4H3