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

Systemtic Name: 5-(2-bromanyl-5-methyl-phenyl)-2-[(4-chlorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-bromo-5-methyl-phenyl)-2-[(4-chlorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-bromo-5-methylphenyl)-2-[(4-chlorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-bromo-5-methylphenyl)-2-[(4-chlorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-bromo-5-methyl-phenyl)-2-(4-chlorobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H14BrClN2OS MolecularWeight: 445.75996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)Br)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14BrClN2OS/c1-11-2-7-16(21)14(8-11)15-10-26-20-18(15)19(25)23-17(24-20)9-12-3-5-13(22)6-4-12/h2-8,10H,9H2,1H3,(H,23,24,25)