(E)-but-2-enedioic acid; 1-(2-chloranylpyrimidin-4-yl)-4-methyl-piperidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-chloranylpyrimidin-4-yl)-4-methyl-piperidin-4-amine Openeye Name: 1-(2-chloropyrimidin-4-yl)-4-methyl-piperidin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(2-chloro-4-pyrimidinyl)-4-methyl-4-piperidinamine IUPAC Name: (E)-but-2-enedioic acid; 1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-amine Traditional Name: [1-(2-chloropyrimidin-4-yl)-4-methyl-4-piperidyl]amine; fumaric acid Formula: C14H19ClN4O4 MolecularWeight: 342.77806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=NC(=NC=C2)Cl)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(CCN(CC1)C2=NC(=NC=C2)Cl)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H15ClN4.C4H4O4/c1-10(12)3-6-15(7-4-10)8-2-5-13-9(11)14-8;5-3(6)1-2-4(7)8/h2,5H,3-4,6-7,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+