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

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C18H23N3O3S2/c1-12-3-5-13(6-4-12)21(2)15(22)9-24-16(23)10-26-18-14-7-8-25-17(14)19-11-20-18/h7-8,11-13H,3-6,9-10H2,1-2H3