ethanedioic acid; 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine

Systemtic Name: ethanedioic acid; 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine; oxalic acid CAS Name: 4-(4-ethyl-1-piperazinyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine; oxalic acid IUPAC Name: 4-(4-ethylpiperazin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine; oxalic acid Traditional Name: 4-(4-ethylpiperazino)-6-methyl-5-phenyl-thieno[2,3-d]pyrimidine; oxalic acid Formula: C23H26N4O8S MolecularWeight: 518.53954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4S.2C2H2O4/c1-3-22-9-11-23(12-10-22)18-17-16(15-7-5-4-6-8-15)14(2)24-19(17)21-13-20-18;2*3-1(4)2(5)6/h4-8,13H,3,9-12H2,1-2H3;2*(H,3,4)(H,5,6)