ethanedioic acid; 1-(4-phenylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone

Systemtic Name: ethanedioic acid; 1-(4-phenylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Openeye Name: oxalic acid; 1-(4-phenylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone CAS Name: oxalic acid; 1-(4-phenyl-1-piperazinyl)-2-(4-thieno[2,3-d]pyrimidinyloxy)ethanone IUPAC Name: oxalic acid; 1-(4-phenylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyethanone Traditional Name: oxalic acid; 1-(4-phenylpiperazino)-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=C4C=CSC4=NC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=C4C=CSC4=NC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18N4O2S.C2H2O4/c23-16(12-24-17-15-6-11-25-18(15)20-13-19-17)22-9-7-21(8-10-22)14-4-2-1-3-5-14;3-1(4)2(5)6/h1-6,11,13H,7-10,12H2;(H,3,4)(H,5,6)