7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-5-methyl-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 7-[[4-(4-chlorophenyl)carbonylphenyl]methyl]-5-methyl-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-5-methyl-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 7-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methyl]-5-methyl-2-(methylthio)-1H-pyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 7-[[4-(4-chlorobenzoyl)phenyl]methyl]-5-methyl-2-methylsulfanyl-1H-pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 7-[4-(4-chlorobenzoyl)benzyl]-5-methyl-2-(methylthio)-1H-pyrrolo[2,3-d]pyrimidin-4-one Formula: C22H18ClN3O2S MolecularWeight: 423.91522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C(=O)N=C(N2)SC)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CN(C2=C1C(=O)N=C(N2)SC)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-13-11-26(20-18(13)21(28)25-22(24-20)29-2)12-14-3-5-15(6-4-14)19(27)16-7-9-17(23)10-8-16/h3-11H,12H2,1-2H3,(H,24,25,28)