2-[(3-chloranylpyridin-2-yl)sulfanylmethyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-chloranylpyridin-2-yl)sulfanylmethyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-chloro-2-pyridyl)sulfanylmethyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3-chloro-2-pyridinyl)thio]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-chloropyridin-2-yl)sulfanylmethyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-chloro-2-pyridyl)thio]methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H16ClN3OS2 MolecularWeight: 413.94354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=C(C=CC=N4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=C(C=CC=N4)Cl)C

InChI

InChI=1S/C20H16ClN3OS2/c1-11-5-7-13(8-6-11)16-12(2)27-20-17(16)18(25)23-15(24-20)10-26-19-14(21)4-3-9-22-19/h3-9H,10H2,1-2H3,(H,23,24,25)