5-(2-bromanyl-5-methyl-phenyl)-6-methyl-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(2-bromanyl-5-methyl-phenyl)-6-methyl-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-benzyl-5-(2-bromo-5-methyl-phenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-bromo-5-methylphenyl)-6-methyl-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzyl-5-(2-bromo-5-methylphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-benzyl-5-(2-bromo-5-methyl-phenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17BrN2OS MolecularWeight: 425.34148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)C2=C(SC3=C2C(=O)NC(=N3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)Br)C2=C(SC3=C2C(=O)NC(=N3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H17BrN2OS/c1-12-8-9-16(22)15(10-12)18-13(2)26-21-19(18)20(25)23-17(24-21)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,23,24,25)