3,4-bis[(2-methyl-5,6-dihydro-1H-pyrimidin-2-yl)carbonyl]hexanedioic acid

Systemtic Name: 3,4-bis[(2-methyl-5,6-dihydro-1H-pyrimidin-2-yl)carbonyl]hexanedioic acid Openeye Name: 3,4-bis(2-methyl-5,6-dihydro-1H-pyrimidine-2-carbonyl)hexanedioic acid CAS Name: 3,4-bis[(2-methyl-5,6-dihydro-1H-pyrimidin-2-yl)-oxomethyl]hexanedioic acid IUPAC Name: 3,4-bis(2-methyl-5,6-dihydro-1H-pyrimidine-2-carbonyl)hexanedioic acid Traditional Name: 3,4-bis(2-methyl-5,6-dihydro-1H-pyrimidine-2-carbonyl)adipic acid Formula: C18H26N4O6 MolecularWeight: 394.42224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NCCC=N1)C(=O)C(CC(=O)O)C(CC(=O)O)C(=O)C2(NCCC=N2)C

Isomeric SMILES

CC1(NCCC=N1)C(=O)C(CC(=O)O)C(CC(=O)O)C(=O)C2(NCCC=N2)C

InChI

InChI=1S/C18H26N4O6/c1-17(19-5-3-6-20-17)15(27)11(9-13(23)24)12(10-14(25)26)16(28)18(2)21-7-4-8-22-18/h5,7,11-12,20,22H,3-4,6,8-10H2,1-2H3,(H,23,24)(H,25,26)