5-(4-tert-butylphenyl)-6-ethyl-2-(3-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(3-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(m-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(3-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(3-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(m-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)C3=CC(=CC=C3)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)C3=CC(=CC=C3)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H26N2OS/c1-6-19-20(16-10-12-18(13-11-16)25(3,4)5)21-23(28)26-22(27-24(21)29-19)17-9-7-8-15(2)14-17/h7-14H,6H2,1-5H3,(H,26,27,28)