2-[(4-bromophenyl)methylsulfanyl]-3-(4-ethylphenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-ethylphenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-ethylphenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(4-ethylphenyl)-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(4-ethylphenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H21BrN2OS2 MolecularWeight: 485.45964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)Br)SC(=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)Br)SC(=C3C)C

InChI

InChI=1S/C23H21BrN2OS2/c1-4-16-7-11-19(12-8-16)26-22(27)20-14(2)15(3)29-21(20)25-23(26)28-13-17-5-9-18(24)10-6-17/h5-12H,4,13H2,1-3H3