(Z)-but-2-enedioic acid; 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine

Systemtic Name: (Z)-but-2-enedioic acid; 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine Openeye Name: maleic acid; 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine CAS Name: (Z)-2-butenedioic acid; 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: (Z)-but-2-enedioic acid; 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine Traditional Name: maleic acid; 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazino]pyrimidine Formula: C26H28N6O8 MolecularWeight: 552.53592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=C(N2)C3=CC=CC=C3)C4=NC=CC=N4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1N(CCN(C1)C2=NC=CC=N2)CC3=CN=C(N3)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20N6.2C4H4O4/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18;2*5-3(6)1-2-4(7)8/h1-8,13H,9-12,14H2,(H,21,22);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-