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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C16H19N3O3S2/c20-13(19-6-3-1-2-4-7-19)9-22-14(21)10-24-16-12-5-8-23-15(12)17-11-18-16/h5,8,11H,1-4,6-7,9-10H2