5-(4-bromophenyl)-2-[(4-methoxyphenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-[(4-methoxyphenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-[(4-methoxyphenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[[(4-methoxyphenyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-[(4-methoxyphenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[[(4-methoxyphenyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H15BrN2O2S2 MolecularWeight: 459.3793

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

Isomeric SMILES

COC1=CC=C(C=C1)SCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

InChI

InChI=1S/C20H15BrN2O2S2/c1-25-14-6-8-15(9-7-14)26-11-17-22-19(24)18-16(10-27-20(18)23-17)12-2-4-13(21)5-3-12/h2-10H,11H2,1H3,(H,22,23,24)