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

Systemtic Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile CAS Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile IUPAC Name: 2-[[6-methyl-5-(2-methylbutyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-keto-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C14H17N3OS2 MolecularWeight: 307.43428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC#N)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC#N)C

InChI

InChI=1S/C14H17N3OS2/c1-4-8(2)7-10-9(3)20-13-11(10)12(18)16-14(17-13)19-6-5-15/h8H,4,6-7H2,1-3H3,(H,16,17,18)