4-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile

Systemtic Name: 4-(3-butyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Openeye Name: 4-(3-butyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile CAS Name: 4-[(3-butyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(3-butyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyronitrile Formula: C16H21N3OS2 MolecularWeight: 335.48744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCCCC#N)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCCCC#N)SC(=C2C)C

InChI

InChI=1S/C16H21N3OS2/c1-4-5-9-19-15(20)13-11(2)12(3)22-14(13)18-16(19)21-10-7-6-8-17/h4-7,9-10H2,1-3H3