[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H19N5O3S2/c24-15(22-14-5-7-21-23(14)12-3-1-2-4-12)9-26-16(25)10-28-18-13-6-8-27-17(13)19-11-20-18/h5-8,11-12H,1-4,9-10H2,(H,22,24)