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

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C21H15ClN2O3S/c22-16-6-14(19-15(7-16)9-26-12-27-19)8-24-11-23-20-18(21(24)25)17(10-28-20)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2