(E)-but-2-enedioic acid; N-[(6-methylpyridin-2-yl)methyl]-6-piperazin-1-yl-pyrazin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[(6-methylpyridin-2-yl)methyl]-6-piperazin-1-yl-pyrazin-2-amine Openeye Name: fumaric acid; N-[(6-methyl-2-pyridyl)methyl]-6-piperazin-1-yl-pyrazin-2-amine CAS Name: (E)-2-butenedioic acid; N-[(6-methyl-2-pyridinyl)methyl]-6-(1-piperazinyl)-2-pyrazinamine IUPAC Name: (E)-but-2-enedioic acid; N-[(6-methylpyridin-2-yl)methyl]-6-piperazin-1-ylpyrazin-2-amine Traditional Name: fumaric acid; (6-methyl-2-pyridyl)methyl-(6-piperazinopyrazin-2-yl)amine Formula: C19H24N6O4 MolecularWeight: 400.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CNC2=NC(=CN=C2)N3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)CNC2=NC(=CN=C2)N3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N6.C4H4O4/c1-12-3-2-4-13(19-12)9-18-14-10-17-11-15(20-14)21-7-5-16-6-8-21;5-3(6)1-2-4(7)8/h2-4,10-11,16H,5-9H2,1H3,(H,18,20);1-2H,(H,5,6)(H,7,8)/b;2-1+