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

Systemtic Name: 1-(6-aminopurin-9-yl)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Openeye Name: 1-(6-aminopurin-9-yl)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid CAS Name: 1-(6-aminopurin-9-yl)-3-[butyl(2-hydroxyethyl)amino]-2-propanol; 5-methyl-1H-pyrazole-3-carboxylic acid IUPAC Name: 1-(6-aminopurin-9-yl)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Traditional Name: 1-adenin-9-yl-3-[butyl(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Formula: C19H30N8O4 MolecularWeight: 434.4927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N6O2.C5H6N2O2/c1-2-3-4-19(5-6-21)7-11(22)8-20-10-18-12-13(15)16-9-17-14(12)20;1-3-2-4(5(8)9)7-6-3/h9-11,21-22H,2-8H2,1H3,(H2,15,16,17);2H,1H3,(H,6,7)(H,8,9)