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

Systemtic Name: 1-(6-aminopurin-9-yl)-3-[bis(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Openeye Name: 1-(6-aminopurin-9-yl)-3-[bis(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid CAS Name: 1-(6-aminopurin-9-yl)-3-[bis(2-hydroxyethyl)amino]-2-propanol; 5-methyl-1H-pyrazole-3-carboxylic acid IUPAC Name: 1-(6-aminopurin-9-yl)-3-[bis(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Traditional Name: 1-adenin-9-yl-3-[bis(2-hydroxyethyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Formula: C17H26N8O5 MolecularWeight: 422.43894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)O.C1=NC2=C(C(=N1)N)N=CN2CC(CN(CCO)CCO)O

Isomeric SMILES

CC1=CC(=NN1)C(=O)O.C1=NC2=C(C(=N1)N)N=CN2CC(CN(CCO)CCO)O

InChI

InChI=1S/C12H20N6O3.C5H6N2O2/c13-11-10-12(15-7-14-11)18(8-16-10)6-9(21)5-17(1-3-19)2-4-20;1-3-2-4(5(8)9)7-6-3/h7-9,19-21H,1-6H2,(H2,13,14,15);2H,1H3,(H,6,7)(H,8,9)