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

Systemtic Name: 2-[(3-chlorophenyl)methyl]-5-(4-methoxy-3-methyl-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methyl]-5-(4-methoxy-3-methyl-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methyl]-5-(4-methoxy-3-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methyl]-5-(4-methoxy-3-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(3-chlorobenzyl)-5-(4-methoxy-3-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=C(C=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC(=CC=C4)Cl)OC

Isomeric SMILES

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

InChI

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