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

Systemtic Name: 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[methyl-[4-(methylthio)benzyl]amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H21N3OS2/c1-25(13-15-8-10-17(27-2)11-9-15)14-20-23-21(26)18-12-19(28-22(18)24-20)16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,23,24,26)