2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-isopentyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(3-methylbutyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-isoamyl-thieno[3,2-d]pyrimidin-4-one Formula: C22H28N2OS2 MolecularWeight: 400.60052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H28N2OS2/c1-15(2)10-12-24-20(25)19-18(11-13-26-19)23-21(24)27-14-16-6-8-17(9-7-16)22(3,4)5/h6-9,11,13,15H,10,12,14H2,1-5H3