N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC4=C(C=CS4)C(=O)N3CC=C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC4=C(C=CS4)C(=O)N3CC=C

InChI

InChI=1S/C22H21N5O2S2/c1-4-11-26-21(29)17-10-12-30-20(17)24-22(26)31-13-18(28)23-19-14(2)25-27(15(19)3)16-8-6-5-7-9-16/h4-10,12H,1,11,13H2,2-3H3,(H,23,28)