1-(6-azanylpurin-7-yl)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(6-azanylpurin-7-yl)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Openeye Name: 1-(6-aminopurin-7-yl)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid CAS Name: 1-(6-amino-7-purinyl)-3-[2-hydroxyethyl(methyl)amino]-2-propanol; 5-methyl-1H-pyrazole-3-carboxylic acid IUPAC Name: 1-(6-aminopurin-7-yl)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Traditional Name: 1-(6-aminopurin-7-yl)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol; 5-methyl-1H-pyrazole-3-carboxylic acid Formula: C16H24N8O4 MolecularWeight: 392.41296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)O.CN(CCO)CC(CN1C=NC2=C1C(=NC=N2)N)O

Isomeric SMILES

CC1=CC(=NN1)C(=O)O.CN(CCO)CC(CN1C=NC2=C1C(=NC=N2)N)O

InChI

InChI=1S/C11H18N6O2.C5H6N2O2/c1-16(2-3-18)4-8(19)5-17-7-15-11-9(17)10(12)13-6-14-11;1-3-2-4(5(8)9)7-6-3/h6-8,18-19H,2-5H2,1H3,(H2,12,13,14);2H,1H3,(H,6,7)(H,8,9)