2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[phenyl(thiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-(3-cyano-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[phenyl(thiophen-2-yl)methyl]ethanamide Openeye Name: 2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[phenyl(2-thienyl)methyl]acetamide CAS Name: 2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide IUPAC Name: 2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide Traditional Name: 2-(3-cyano-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[phenyl(2-thienyl)methyl]acetamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C(=CN2)C#N)CC(=O)NC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C(=CN2)C#N)CC(=O)NC(C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H17N5O2S/c1-13-16(21(28)26-20(24-13)15(11-22)12-23-26)10-18(27)25-19(17-8-5-9-29-17)14-6-3-2-4-7-14/h2-9,12,19,23H,10H2,1H3,(H,25,27)