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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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