5-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H15BrN2O3S2 MolecularWeight: 487.3894

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Br)C(=O)N3

InChI

InChI=1S/C21H15BrN2O3S2/c22-13-3-1-12(2-4-13)15-10-29-21-19(15)20(25)23-18(24-21)11-28-14-5-6-16-17(9-14)27-8-7-26-16/h1-6,9-10H,7-8,11H2,(H,23,24,25)