N-(2-cyano-3-methyl-butan-2-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propionamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC=NC2=C1C(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS2/c1-13(2)21(4,11-22)25-18(26)14(3)28-20-17-16(15-8-6-5-7-9-15)10-27-19(17)23-12-24-20/h5-10,12-14H,1-4H3,(H,25,26)