3-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-piperonyl-thieno[3,2-d]pyrimidin-4-one Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

InChI

InChI=1S/C20H19N3O4S2/c24-17(22-6-1-2-7-22)11-29-20-21-14-5-8-28-18(14)19(25)23(20)10-13-3-4-15-16(9-13)27-12-26-15/h3-5,8-9H,1-2,6-7,10-12H2