2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]-5,6-dimethyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C26H34N2O2S2 MolecularWeight: 470.69036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CC=C)C

InChI

InChI=1S/C26H34N2O2S2/c1-10-11-28-23(30)20-15(2)16(3)32-22(20)27-24(28)31-14-17-12-18(25(4,5)6)21(29)19(13-17)26(7,8)9/h10,12-13,29H,1,11,14H2,2-9H3