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

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-cyclopentylpyrazol-3-yl)acetamide Formula: C25H25N5O2S2 MolecularWeight: 491.6283

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=NN3C4CCCC4)SC=C2C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=NN3C4CCCC4)SC=C2C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2S2/c1-2-14-29-24(32)22-19(17-8-4-3-5-9-17)15-33-23(22)28-25(29)34-16-21(31)27-20-12-13-26-30(20)18-10-6-7-11-18/h2-5,8-9,12-13,15,18H,1,6-7,10-11,14,16H2,(H,27,31)