2-[2-oxidanylidene-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]sulfanylethanoate

Systemtic Name: 2-[2-oxidanylidene-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]sulfanylethanoate Openeye Name: 2-[2-oxo-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-[4-(5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]ethyl]thio]acetate IUPAC Name: 2-[2-oxo-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazino]ethyl]thio]acetate Formula: C20H19N4O3S2- MolecularWeight: 427.51986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C3C(=CSC3=NC=N2)C4=CC=CC=C4)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C20H20N4O3S2/c25-16(11-28-12-17(26)27)23-6-8-24(9-7-23)19-18-15(14-4-2-1-3-5-14)10-29-20(18)22-13-21-19/h1-5,10,13H,6-9,11-12H2,(H,26,27)/p-1