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

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C29H32N2OS2 MolecularWeight: 488.70718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=C(C=C(C=C4C)C(C)(C)C)C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=C(C=C(C=C4C)C(C)(C)C)C)CC=C

InChI

InChI=1S/C29H32N2OS2/c1-8-13-31-27(32)25-24(21-11-9-18(2)10-12-21)17-33-26(25)30-28(31)34-16-23-19(3)14-22(15-20(23)4)29(5,6)7/h8-12,14-15,17H,1,13,16H2,2-7H3