N-(1-cyanocyclohexyl)-2-(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-(5,6-dimethyl-4-oxidanylidene-3-propan-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-(3-isopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[(5,6-dimethyl-4-oxo-3-propan-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(3-isopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionamide Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)NC3(CCCCC3)C#N)C(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)NC3(CCCCC3)C#N)C(C)C)C

InChI

InChI=1S/C21H28N4O2S2/c1-12(2)25-19(27)16-13(3)14(4)28-18(16)23-20(25)29-15(5)17(26)24-21(11-22)9-7-6-8-10-21/h12,15H,6-10H2,1-5H3,(H,24,26)