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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-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)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-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)-methyl-amino]-2-keto-ethyl] ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CSC1=NC=NC2=C1C=CS2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CSC1=NC=NC2=C1C=CS2)C3(CCCCC3)C#N

InChI

InChI=1S/C18H20N4O3S2/c1-22(18(11-19)6-3-2-4-7-18)14(23)9-25-15(24)10-27-17-13-5-8-26-16(13)20-12-21-17/h5,8,12H,2-4,6-7,9-10H2,1H3