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

Systemtic Name: ethanedioic acid; 6-methyl-4-(4-methylpiperazin-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 6-methyl-4-(4-methylpiperazin-1-yl)-5-phenyl-thieno[2,3-d]pyrimidine; oxalic acid CAS Name: 6-methyl-4-(4-methyl-1-piperazinyl)-5-phenylthieno[2,3-d]pyrimidine; oxalic acid IUPAC Name: 6-methyl-4-(4-methylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidine; oxalic acid Traditional Name: 6-methyl-4-(4-methylpiperazino)-5-phenyl-thieno[2,3-d]pyrimidine; oxalic acid Formula: C22H24N4O8S MolecularWeight: 504.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

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