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

Systemtic Name: 2-[[(3,5-dimethylphenyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3,5-dimethylanilino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,5-dimethylanilino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3,5-dimethylanilino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,5-dimethylanilino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NCC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2)C

InChI

InChI=1S/C21H19N3OS/c1-13-8-14(2)10-16(9-13)22-12-19-23-20(25)17-11-18(26-21(17)24-19)15-6-4-3-5-7-15/h3-11,22H,12H2,1-2H3,(H,23,24,25)