3-[(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)C4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)C4CCCC4)C

InChI

InChI=1S/C21H21N3OS2/c1-13-14(2)27-19-18(13)20(25)24(17-8-3-4-9-17)21(23-19)26-12-16-7-5-6-15(10-16)11-22/h5-7,10,17H,3-4,8-9,12H2,1-2H3