2-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H23BrN2O3S2 MolecularWeight: 555.50642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5)CC=C)C

InChI

InChI=1S/C26H23BrN2O3S2/c1-4-10-29-24(30)21-15(2)16(3)34-23(21)28-26(29)33-14-19-12-20(27)11-18-13-31-25(32-22(18)19)17-8-6-5-7-9-17/h4-9,11-12,25H,1,10,13-14H2,2-3H3