2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; 2-butyl-3-propyl-quinolin-4-amine

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; 2-butyl-3-propyl-quinolin-4-amine Openeye Name: 2-butyl-3-propyl-quinolin-4-amine; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 2-butyl-3-propyl-4-quinolinamine; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: 2-butyl-3-propylquinolin-4-amine; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid Traditional Name: (2-butyl-3-propyl-4-quinolyl)amine; orotic acid Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1CCC)N.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1CCC)N.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C16H22N2.C5H4N2O4/c1-3-5-10-14-12(8-4-2)16(17)13-9-6-7-11-15(13)18-14;8-3-1-2(4(9)10)6-5(11)7-3/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,17,18);1H,(H,9,10)(H2,6,7,8,11)