3-[2-(4-bromophenyl)sulfonylethyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-bromophenyl)sulfonylethyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-bromophenyl)sulfonylethyl]-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(2-brosylethyl)-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C21H17BrN2O3S2 MolecularWeight: 489.40528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O3S2/c1-14-2-4-15(5-3-14)18-12-28-20-19(18)21(25)24(13-23-20)10-11-29(26,27)17-8-6-16(22)7-9-17/h2-9,12-13H,10-11H2,1H3