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

Systemtic Name: 5-(4-tert-butylphenyl)-6-ethyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-tert-butylphenyl)-6-ethyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-tert-butylphenyl)-6-ethyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-tert-butylphenyl)-6-ethyl-2-[(4-nitrophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-tert-butylphenyl)-6-ethyl-2-(4-nitrobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H25N3O3S/c1-5-19-21(16-8-10-17(11-9-16)25(2,3)4)22-23(29)26-20(27-24(22)32-19)14-15-6-12-18(13-7-15)28(30)31/h6-13H,5,14H2,1-4H3,(H,26,27,29)