ethanedioic acid; 2-(3-oxidanylpropylamino)-5,5-dipropyl-1H-pyrimidine-4,6-dione

Systemtic Name: ethanedioic acid; 2-(3-oxidanylpropylamino)-5,5-dipropyl-1H-pyrimidine-4,6-dione Openeye Name: 2-(3-hydroxypropylamino)-5,5-dipropyl-1H-pyrimidine-4,6-dione; oxalic acid CAS Name: 2-(3-hydroxypropylamino)-5,5-dipropyl-1H-pyrimidine-4,6-dione; oxalic acid IUPAC Name: 2-(3-hydroxypropylamino)-5,5-dipropyl-1H-pyrimidine-4,6-dione; oxalic acid Traditional Name: 2-(3-hydroxypropylamino)-5,5-dipropyl-1H-pyrimidine-4,6-quinone; oxalic acid Formula: C15H25N3O7 MolecularWeight: 359.3749

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)NC(=NC1=O)NCCCO)CCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCC1(C(=O)NC(=NC1=O)NCCCO)CCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H23N3O3.C2H2O4/c1-3-6-13(7-4-2)10(18)15-12(16-11(13)19)14-8-5-9-17;3-1(4)2(5)6/h17H,3-9H2,1-2H3,(H2,14,15,16,18,19);(H,3,4)(H,5,6)