7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione; pyridine-3-carboxylic acid

Systemtic Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione; pyridine-3-carboxylic acid Openeye Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione; nicotinic acid CAS Name: 7-(2-diethylaminoethyl)-1,3-dimethylpurine-2,6-dione; 3-pyridinecarboxylic acid IUPAC Name: 7-(2-diethylaminoethyl)-1,3-dimethylpurine-2,6-dione; pyridine-3-carboxylic acid Traditional Name: 7-(2-diethylaminoethyl)-1,3-dimethyl-xanthine; nicotinic acid Formula: C19H26N6O4 MolecularWeight: 402.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C13H21N5O2.C6H5NO2/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;8-6(9)5-2-1-3-7-4-5/h9H,5-8H2,1-4H3;1-4H,(H,8,9)