ethanedioic acid; 2-[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; 2-[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol Openeye Name: 2-[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol; oxalic acid CAS Name: 2-[4-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazinyl]ethanol; oxalic acid IUPAC Name: 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol; oxalic acid Traditional Name: 2-[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazino]ethanol; oxalic acid Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCN(CC4)CCO.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CS3)N4CCN(CC4)CCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N4OS2.C2H2O4/c1-12-18-16(21-6-4-20(5-7-21)8-9-22)15-13(11-24-17(15)19-12)14-3-2-10-23-14;3-1(4)2(5)6/h2-3,10-11,22H,4-9H2,1H3;(H,3,4)(H,5,6)