5,6-dimethyl-2-[(4-phenylphenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(4-phenylphenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(4-phenylphenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(4-phenylphenyl)methylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(4-phenylphenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(4-phenylbenzyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N2OS2/c1-14-15(2)27-22-20(14)21(25)23-19(24-22)13-26-12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H,23,24,25)