4-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 4-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(4-tert-butylphenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[2-[(4-tert-butylbenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butyramide Formula: C29H33N3O2S2 MolecularWeight: 519.72122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)SC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C29H33N3O2S2/c1-29(2,3)23-13-11-22(12-14-23)20-36-28-31-24-16-19-35-26(24)27(34)32(28)18-7-10-25(33)30-17-15-21-8-5-4-6-9-21/h4-6,8-9,11-14,16,19H,7,10,15,17-18,20H2,1-3H3,(H,30,33)