1-(6-aminopurin-9-yl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(6-aminopurin-9-yl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Openeye Name: 1-(6-aminopurin-9-yl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid CAS Name: 1-(6-aminopurin-9-yl)-3-[ethyl(2-hydroxyethyl)amino]-2-propanol; 5-methyl-1H-pyrazole-3-carboxylic acid IUPAC Name: 1-(6-aminopurin-9-yl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Traditional Name: 1-adenin-9-yl-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Formula: C17H26N8O4 MolecularWeight: 406.43954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)CC(CN1C=NC2=C1N=CN=C2N)O.CC1=CC(=NN1)C(=O)O

Isomeric SMILES

CCN(CCO)CC(CN1C=NC2=C1N=CN=C2N)O.CC1=CC(=NN1)C(=O)O

InChI

InChI=1S/C12H20N6O2.C5H6N2O2/c1-2-17(3-4-19)5-9(20)6-18-8-16-10-11(13)14-7-15-12(10)18;1-3-2-4(5(8)9)7-6-3/h7-9,19-20H,2-6H2,1H3,(H2,13,14,15);2H,1H3,(H,6,7)(H,8,9)