ethanedioic acid; 4-(4-methylpiperazin-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: ethanedioic acid; 4-(4-methylpiperazin-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-methylpiperazin-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine; oxalic acid CAS Name: 4-(4-methyl-1-piperazinyl)-6-phenylthieno[2,3-d]pyrimidine; oxalic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine; oxalic acid Traditional Name: 4-(4-methylpiperazino)-6-phenyl-thieno[2,3-d]pyrimidine; oxalic acid Formula: C21H22N4O8S MolecularWeight: 490.48638

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N4S.2C2H2O4/c1-20-7-9-21(10-8-20)16-14-11-15(13-5-3-2-4-6-13)22-17(14)19-12-18-16;2*3-1(4)2(5)6/h2-6,11-12H,7-10H2,1H3;2*(H,3,4)(H,5,6)