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

Systemtic Name: 2-[[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H24N2O2S2/c1-12-13(2)27-20-18(12)19(25)22-17(23-20)11-26-10-16(24)14-6-8-15(9-7-14)21(3,4)5/h6-9H,10-11H2,1-5H3,(H,22,23,25)