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

Systemtic Name: 3-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H19BrN2O3S MolecularWeight: 483.37756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=C4C(=CC(=C3)Br)CO[C@@H](O4)C5=CC=CC=C5)C

InChI

InChI=1S/C23H19BrN2O3S/c1-13-14(2)30-21-19(13)22(27)26(12-25-21)10-16-8-18(24)9-17-11-28-23(29-20(16)17)15-6-4-3-5-7-15/h3-9,12,23H,10-11H2,1-2H3/t23-/m0/s1