(Z)-but-2-enedioic acid; 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one

Systemtic Name: (Z)-but-2-enedioic acid; 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one Openeye Name: 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 5-cyclohexyl-2-[(4-methyl-1-piperazinyl)methyl]-1H-pyrimidin-6-one IUPAC Name: (Z)-but-2-enedioic acid; 5-cyclohexyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidin-6-one Traditional Name: 5-cyclohexyl-2-[(4-methylpiperazino)methyl]-1H-pyrimidin-6-one; maleic acid Formula: C20H30N4O5 MolecularWeight: 406.476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC=C(C(=O)N2)C3CCCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=NC=C(C(=O)N2)C3CCCCC3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C16H26N4O.C4H4O4/c1-19-7-9-20(10-8-19)12-15-17-11-14(16(21)18-15)13-5-3-2-4-6-13;5-3(6)1-2-4(7)8/h11,13H,2-10,12H2,1H3,(H,17,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1-