3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H15BrN2O3S/c22-16-9-18-17(26-6-7-27-18)8-14(16)10-24-12-23-20-19(21(24)25)15(11-28-20)13-4-2-1-3-5-13/h1-5,8-9,11-12H,6-7,10H2