(E)-but-2-enedioic acid; 4-[2-methyl-4-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (E)-but-2-enedioic acid; 4-[2-methyl-4-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: fumaric acid; 4-[2-methyl-4-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (E)-2-butenedioic acid; 4-[2-methyl-4-[3-(4-phenyl-1-piperazinyl)propoxy]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (E)-but-2-enedioic acid; 4-[2-methyl-4-[3-(4-phenylpiperazin-1-yl)propoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: fumaric acid; 4-[2-methyl-4-[3-(4-phenylpiperazino)propoxy]-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C28H32N4O6 MolecularWeight: 520.57688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C2C=CC(=O)C=C2)N1)OCCCN3CCN(CC3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=CC(=C2C=CC(=O)C=C2)N1)OCCCN3CCN(CC3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H28N4O2.C4H4O4/c1-19-25-23(20-8-10-22(29)11-9-20)18-24(26-19)30-17-5-12-27-13-15-28(16-14-27)21-6-3-2-4-7-21;5-3(6)1-2-4(7)8/h2-4,6-11,18H,5,12-17H2,1H3,(H,25,26);1-2H,(H,5,6)(H,7,8)/b;2-1+