2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; 1,2,3,4,5,6,7,8-octahydroacridin-9-amine

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; 1,2,3,4,5,6,7,8-octahydroacridin-9-amine Openeye Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; 1,2,3,4,5,6,7,8-octahydroacridin-9-amine CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; 1,2,3,4,5,6,7,8-octahydroacridin-9-amine IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid; 1,2,3,4,5,6,7,8-octahydroacridin-9-amine Traditional Name: 1,2,3,4,5,6,7,8-octahydroacridin-9-ylamine; orotic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C3CCCCC3=N2)N.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C3CCCCC3=N2)N.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C13H18N2.C5H4N2O4/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;8-3-1-2(4(9)10)6-5(11)7-3/h1-8H2,(H2,14,15);1H,(H,9,10)(H2,6,7,8,11)