2-[3-(3-methylbutyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C17H21N5O2S2 MolecularWeight: 391.51094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)SC=C3

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C(=O)N2CCC(C)C)SC=C3

InChI

InChI=1S/C17H21N5O2S2/c1-10(2)4-6-22-16(24)15-12(5-7-25-15)18-17(22)26-9-14(23)19-13-8-11(3)20-21-13/h5,7-8,10H,4,6,9H2,1-3H3,(H2,19,20,21,23)