2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; 9-(butylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one

Systemtic Name: 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid; 9-(butylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one Openeye Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid Traditional Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one; orotic acid Formula: C24H28N4O5 MolecularWeight: 452.50292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(=NC3=CC=CC=C31)CC(CC2=O)(C)C.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

CCCCNC1=C2C(=NC3=CC=CC=C31)CC(CC2=O)(C)C.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C19H24N2O.C5H4N2O4/c1-4-5-10-20-18-13-8-6-7-9-14(13)21-15-11-19(2,3)12-16(22)17(15)18;8-3-1-2(4(9)10)6-5(11)7-3/h6-9H,4-5,10-12H2,1-3H3,(H,20,21);1H,(H,9,10)(H2,6,7,8,11)