6-[4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-thieno[3,2-d]pyrimidin-3-yl]hexanoate

Systemtic Name: 6-[4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-thieno[3,2-d]pyrimidin-3-yl]hexanoate Openeye Name: 6-[4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-thieno[3,2-d]pyrimidin-3-yl]hexanoate CAS Name: 6-[4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-thieno[3,2-d]pyrimidinyl]hexanoate IUPAC Name: 6-[4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-3-yl]hexanoate Traditional Name: 6-[4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]thieno[3,2-d]pyrimidin-3-yl]hexanoate Formula: C18H22N3O4S2- MolecularWeight: 408.51498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2CCCCCC(=O)[O-])SC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2CCCCCC(=O)[O-])SC=C3

InChI

InChI=1S/C18H23N3O4S2/c22-14(20-8-4-5-9-20)12-27-18-19-13-7-11-26-16(13)17(25)21(18)10-3-1-2-6-15(23)24/h7,11H,1-6,8-10,12H2,(H,23,24)/p-1