3-(5-tert-butyl-2-oxidanyl-phenyl)-6-methyl-5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(5-tert-butyl-2-oxidanyl-phenyl)-6-methyl-5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-(5-tert-butyl-2-hydroxy-phenyl)-6-methyl-5-phenyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 3-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(5-tert-butyl-2-hydroxy-phenyl)-6-methyl-5-phenyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)NC(=S)N(C2=O)C3=C(C=CC(=C3)C(C)(C)C)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)NC(=S)N(C2=O)C3=C(C=CC(=C3)C(C)(C)C)O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S2/c1-13-18(14-8-6-5-7-9-14)19-20(29-13)24-22(28)25(21(19)27)16-12-15(23(2,3)4)10-11-17(16)26/h5-12,26H,1-4H3,(H,24,28)