2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-3-prop-2-enyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-3-prop-2-enyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-3-prop-2-enyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-3-prop-2-enylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-bromo-4,5-dimethoxy-benzyl)thio]thieno[3,2-d]pyrimidin-4-one Formula: C18H17BrN2O3S2 MolecularWeight: 453.37318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC3=C(C(=O)N2CC=C)SC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC3=C(C(=O)N2CC=C)SC=C3)Br)OC

InChI

InChI=1S/C18H17BrN2O3S2/c1-4-6-21-17(22)16-13(5-7-25-16)20-18(21)26-10-11-8-14(23-2)15(24-3)9-12(11)19/h4-5,7-9H,1,6,10H2,2-3H3