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

Systemtic Name: N-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-yl)acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-yl)acetamide Formula: C16H17N5O2S2 MolecularWeight: 375.46848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)C

InChI

InChI=1S/C16H17N5O2S2/c1-4-6-21-15(23)11-5-7-24-14(11)18-16(21)25-9-13(22)17-12-8-10(2)19-20(12)3/h4-5,7-8H,1,6,9H2,2-3H3,(H,17,22)