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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-ethyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-ethyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N2OS2 MolecularWeight: 386.57394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(C)(C)C)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(C)(C)C)SC(=C2C)C

InChI

InChI=1S/C21H26N2OS2/c1-7-23-19(24)17-13(2)14(3)26-18(17)22-20(23)25-12-15-8-10-16(11-9-15)21(4,5)6/h8-11H,7,12H2,1-6H3