2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-3-cyclopropyl-quinazolin-4-one

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-3-cyclopropyl-quinazolin-4-one Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-3-cyclopropyl-quinazolin-4-one CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-3-cyclopropyl-4-quinazolinone IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-3-cyclopropylquinazolin-4-one Traditional Name: 2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-3-cyclopropyl-quinazolin-4-one Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)Br)OC

InChI

InChI=1S/C20H19BrN2O3S/c1-25-17-9-12(15(21)10-18(17)26-2)11-27-20-22-16-6-4-3-5-14(16)19(24)23(20)13-7-8-13/h3-6,9-10,13H,7-8,11H2,1-2H3