5-(4-bromophenyl)-2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[[(2,6-dimethyl-4-pyrimidinyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-[(2,6-dimethylpyrimidin-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[[(2,6-dimethylpyrimidin-4-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H15BrN4OS2 MolecularWeight: 459.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

InChI

InChI=1S/C19H15BrN4OS2/c1-10-7-16(22-11(2)21-10)26-9-15-23-18(25)17-14(8-27-19(17)24-15)12-3-5-13(20)6-4-12/h3-8H,9H2,1-2H3,(H,23,24,25)