(E)-but-2-enedioic acid; 4-methyl-2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethoxy]pyrimidine

Systemtic Name: (E)-but-2-enedioic acid; 4-methyl-2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethoxy]pyrimidine Openeye Name: fumaric acid; 4-methyl-2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethoxy]pyrimidine CAS Name: (E)-2-butenedioic acid; 4-methyl-2-phenyl-6-[2-(4-phenyl-1-piperazinyl)ethoxy]pyrimidine IUPAC Name: (E)-but-2-enedioic acid; 4-methyl-2-phenyl-6-[2-(4-phenylpiperazin-1-yl)ethoxy]pyrimidine Traditional Name: fumaric acid; 4-methyl-2-phenyl-6-[2-(4-phenylpiperazino)ethoxy]pyrimidine Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=CC=C2)OCCN3CCN(CC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=CC=C2)OCCN3CCN(CC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H26N4O.C4H4O4/c1-19-18-22(25-23(24-19)20-8-4-2-5-9-20)28-17-16-26-12-14-27(15-13-26)21-10-6-3-7-11-21;5-3(6)1-2-4(7)8/h2-11,18H,12-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+