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

Systemtic Name: 4-[2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide Openeye Name: 4-[2-(m-tolylmethylsulfanyl)-4-oxo-thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butanamide CAS Name: 4-[2-[(3-methylphenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]-N-phenethylbutanamide IUPAC Name: 4-[2-[(3-methylphenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-phenethylbutanamide Traditional Name: 4-[4-keto-2-[(3-methylbenzyl)thio]thieno[3,2-d]pyrimidin-3-yl]-N-phenethyl-butyramide Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)SC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C(=O)N2CCCC(=O)NCCC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C26H27N3O2S2/c1-19-7-5-10-21(17-19)18-33-26-28-22-13-16-32-24(22)25(31)29(26)15-6-11-23(30)27-14-12-20-8-3-2-4-9-20/h2-5,7-10,13,16-17H,6,11-12,14-15,18H2,1H3,(H,27,30)