5-(4-tert-butylphenyl)-6-ethyl-2-(naphthalen-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(naphthalen-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(1-naphthylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(1-naphthalenylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(naphthalen-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(1-naphthylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C29H28N2OS MolecularWeight: 452.61042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C29H28N2OS/c1-5-23-25(19-13-15-21(16-14-19)29(2,3)4)26-27(32)30-24(31-28(26)33-23)17-20-11-8-10-18-9-6-7-12-22(18)20/h6-16H,5,17H2,1-4H3,(H,30,31,32)