5-(2,4-dimethylphenyl)-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(2,4-dimethylphenyl)-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-benzyl-5-(2,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2,4-dimethylphenyl)-2-(phenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-benzyl-5-(2,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-benzyl-5-(2,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H18N2OS MolecularWeight: 346.44542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H18N2OS/c1-13-8-9-16(14(2)10-13)17-12-25-21-19(17)20(24)22-18(23-21)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,23,24)