2-[(4-tert-butylphenyl)methylsulfanyl]-5-ethyl-6-methyl-3-(2-methyl-4-oxidanyl-phenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-ethyl-6-methyl-3-(2-methyl-4-oxidanyl-phenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-ethyl-3-(4-hydroxy-2-methyl-phenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-ethyl-3-(4-hydroxy-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-5-ethyl-3-(4-hydroxy-2-methyl-phenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C27H30N2O2S2 MolecularWeight: 478.6693

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(C)(C)C)C4=C(C=C(C=C4)O)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(C)(C)C)C4=C(C=C(C=C4)O)C)C

InChI

InChI=1S/C27H30N2O2S2/c1-7-21-17(3)33-24-23(21)25(31)29(22-13-12-20(30)14-16(22)2)26(28-24)32-15-18-8-10-19(11-9-18)27(4,5)6/h8-14,30H,7,15H2,1-6H3