(E)-but-2-enedioic acid; N-methyl-2-(4-phenylpiperidin-1-yl)pyrimidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-2-(4-phenylpiperidin-1-yl)pyrimidin-4-amine Openeye Name: fumaric acid; N-methyl-2-(4-phenyl-1-piperidyl)pyrimidin-4-amine CAS Name: (E)-2-butenedioic acid; N-methyl-2-(4-phenyl-1-piperidinyl)-4-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-2-(4-phenylpiperidin-1-yl)pyrimidin-4-amine Traditional Name: fumaric acid; methyl-[2-(4-phenylpiperidino)pyrimidin-4-yl]amine Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC=C1)N2CCC(CC2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNC1=NC(=NC=C1)N2CCC(CC2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H20N4.C4H4O4/c1-17-15-7-10-18-16(19-15)20-11-8-14(9-12-20)13-5-3-2-4-6-13;5-3(6)1-2-4(7)8/h2-7,10,14H,8-9,11-12H2,1H3,(H,17,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+