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

Systemtic Name: 5-(4-chloranyl-3-methyl-phenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chloro-3-methyl-phenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chloro-3-methylphenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chloro-3-methylphenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chloro-3-methyl-phenyl)-2-p-anisyl-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=C(C=C4)OC)Cl

Isomeric SMILES

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

InChI

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