3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylbutyl)propanamide

Systemtic Name: 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylbutyl)propanamide Openeye Name: 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylbutyl)propanamide CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-(2-phenylbutyl)propanamide IUPAC Name: 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylbutyl)propanamide Traditional Name: 3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylbutyl)propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCN1C=NC2=C(C1=O)C(=C(S2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CCN1C=NC2=C(C1=O)C(=C(S2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-4-16(17-8-6-5-7-9-17)12-22-18(25)10-11-24-13-23-20-19(21(24)26)14(2)15(3)27-20/h5-9,13,16H,4,10-12H2,1-3H3,(H,22,25)