6-methyl-5-(4-methylphenyl)-2-[[(3-methylsulfanylphenyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[[(3-methylsulfanylphenyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[(3-methylsulfanylanilino)methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[[3-(methylthio)anilino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(3-methylsulfanylanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-2-[[3-(methylthio)anilino]methyl]-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC(=CC=C4)SC)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC(=CC=C4)SC)C

InChI

InChI=1S/C22H21N3OS2/c1-13-7-9-15(10-8-13)19-14(2)28-22-20(19)21(26)24-18(25-22)12-23-16-5-4-6-17(11-16)27-3/h4-11,23H,12H2,1-3H3,(H,24,25,26)