4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine; ethanedioic acid

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine; ethanedioic acid Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine; oxalic acid CAS Name: 4-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]thieno[2,3-d]pyrimidine; oxalic acid IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine; oxalic acid Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazino]thieno[2,3-d]pyrimidine; oxalic acid Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)C4=C5C=CSC5=NC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)C4=C5C=CSC5=NC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H18N4S2.C2H2O4/c1-2-4-17-15(3-1)14(12-25-17)11-22-6-8-23(9-7-22)18-16-5-10-24-19(16)21-13-20-18;3-1(4)2(5)6/h1-5,10,12-13H,6-9,11H2;(H,3,4)(H,5,6)