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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-5-(2-methoxy-5-methyl-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methyl]-5-(2-methoxy-5-methyl-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methyl]-5-(2-methoxy-5-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methyl]-5-(2-methoxy-5-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(4-chlorobenzyl)-5-(2-methoxy-5-methyl-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17ClN2O2S MolecularWeight: 396.88988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O2S/c1-12-3-8-17(26-2)15(9-12)16-11-27-21-19(16)20(25)23-18(24-21)10-13-4-6-14(22)7-5-13/h3-9,11H,10H2,1-2H3,(H,23,24,25)