(E)-but-2-enedioic acid; N-(3-methylbut-2-enyl)pyrimidin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-(3-methylbut-2-enyl)pyrimidin-2-amine Openeye Name: fumaric acid; N-(3-methylbut-2-enyl)pyrimidin-2-amine CAS Name: (E)-2-butenedioic acid; N-(3-methylbut-2-enyl)-2-pyrimidinamine IUPAC Name: (E)-but-2-enedioic acid; N-(3-methylbut-2-enyl)pyrimidin-2-amine Traditional Name: fumaric acid; 3-methylbut-2-enyl(2-pyrimidyl)amine Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=CC=N1)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=CCNC1=NC=CC=N1)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H13N3.C4H4O4/c1-8(2)4-7-12-9-10-5-3-6-11-9;5-3(6)1-2-4(7)8/h3-6H,7H2,1-2H3,(H,10,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1+