6-propyl-4-pyrimidin-4-yl-1,4-dihydropyridine-2,3,5-tricarboxylic acid

Systemtic Name: 6-propyl-4-pyrimidin-4-yl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Openeye Name: 6-propyl-4-pyrimidin-4-yl-1,4-dihydropyridine-2,3,5-tricarboxylic acid CAS Name: 6-propyl-4-(4-pyrimidinyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid IUPAC Name: 6-propyl-4-pyrimidin-4-yl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Traditional Name: 6-propyl-4-(4-pyrimidyl)-1,4-dihydropyridine-2,3,5-tricarboxylic acid Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)C(=O)O)C(=O)O)C2=NC=NC=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C(C(=C(N1)C(=O)O)C(=O)O)C2=NC=NC=C2)C(=O)O

InChI

InChI=1S/C15H15N3O6/c1-2-3-8-10(13(19)20)9(7-4-5-16-6-17-7)11(14(21)22)12(18-8)15(23)24/h4-6,9,18H,2-3H2,1H3,(H,19,20)(H,21,22)(H,23,24)