(E)-but-2-enedioic acid; methyl 4-methyl-2-(propan-2-ylamino)pyrimidine-5-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; methyl 4-methyl-2-(propan-2-ylamino)pyrimidine-5-carboxylate Openeye Name: fumaric acid; methyl 2-(isopropylamino)-4-methyl-pyrimidine-5-carboxylate CAS Name: (E)-2-butenedioic acid; 4-methyl-2-(propan-2-ylamino)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: (E)-but-2-enedioic acid; methyl 4-methyl-2-(propan-2-ylamino)pyrimidine-5-carboxylate Traditional Name: fumaric acid; 2-(isopropylamino)-4-methyl-pyrimidine-5-carboxylic acid methyl ester Formula: C14H19N3O6 MolecularWeight: 325.31716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)OC)NC(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=NC=C1C(=O)OC)NC(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H15N3O2.C4H4O4/c1-6(2)12-10-11-5-8(7(3)13-10)9(14)15-4;5-3(6)1-2-4(7)8/h5-6H,1-4H3,(H,11,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1+