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

Systemtic Name: 5-(2-bromanyl-5-methyl-phenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-bromo-5-methyl-phenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-bromo-5-methylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-bromo-5-methylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-bromo-5-methyl-phenyl)-2-o-anisyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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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=C4OC

Isomeric SMILES

CC1=CC(=C(C=C1)Br)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=CC=C4OC

InChI

InChI=1S/C21H17BrN2O2S/c1-12-7-8-16(22)14(9-12)15-11-27-21-19(15)20(25)23-18(24-21)10-13-5-3-4-6-17(13)26-2/h3-9,11H,10H2,1-2H3,(H,23,24,25)