[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C17H18N4O3S2/c18-10-17(5-2-1-3-6-17)21-13(22)8-24-14(23)9-26-16-12-4-7-25-15(12)19-11-20-16/h4,7,11H,1-3,5-6,8-9H2,(H,21,22)