4-[[6-methyl-5-(2-methylbutyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[6-methyl-5-(2-methylbutyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanylmethyl]benzonitrile CAS Name: 4-[[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]methyl]benzonitrile IUPAC Name: 4-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methylsulfanylmethyl]benzonitrile Traditional Name: 4-[[[4-keto-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methylthio]methyl]benzonitrile Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H23N3OS2/c1-4-13(2)9-17-14(3)27-21-19(17)20(25)23-18(24-21)12-26-11-16-7-5-15(10-22)6-8-16/h5-8,13H,4,9,11-12H2,1-3H3,(H,23,24,25)