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

Systemtic Name: ethanedioic acid; 4-(4-ethylpiperazin-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-1-yl)-6-phenyl-thieno[2,3-d]pyrimidine; oxalic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-6-phenylthieno[2,3-d]pyrimidine; oxalic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-6-phenylthieno[2,3-d]pyrimidine; oxalic acid Traditional Name: 4-(4-ethylpiperazino)-6-phenyl-thieno[2,3-d]pyrimidine; oxalic acid Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N4S.C2H2O4/c1-2-21-8-10-22(11-9-21)17-15-12-16(14-6-4-3-5-7-14)23-18(15)20-13-19-17;3-1(4)2(5)6/h3-7,12-13H,2,8-11H2,1H3;(H,3,4)(H,5,6)