2-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(4-tert-butylphenyl)methylsulfanyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-5-(4-methylphenyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-methylphenyl)-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-tert-butylbenzyl)thio]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C27H28N2OS2 MolecularWeight: 460.65402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)C(C)(C)C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)C(C)(C)C)CC=C

InChI

InChI=1S/C27H28N2OS2/c1-6-15-29-25(30)23-22(20-11-7-18(2)8-12-20)17-31-24(23)28-26(29)32-16-19-9-13-21(14-10-19)27(3,4)5/h6-14,17H,1,15-16H2,2-5H3