1-(6-aminopurin-9-yl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol;5-methyl-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
65551-80-6- Standard SMILES
CCN(CCO)CC(O)Cn1cnc2c(N)ncnc21.Cc1cc(C(=O)O)n[nH]1- InChIKey
CCPZQFWTKZLQSY-UHFFFAOYSA-N- Molecular formula
- C17H26N8O4
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.20770134
Names & identifiers
- Preferred name
- 1-(6-aminopurin-9-yl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol;5-methyl-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-(6-aminopurin-9-yl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol;5-methyl-1H-pyrazole-3-carboxylic acid
Names & synonyms
NSC37136665551-80-6DTXSID30321179NSC-3713665-Methyl-1H-pyrazole-3-carboxylic acid--1-(6-amino-9H-purin-9-yl)-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol (1/1)
Database identifiers
- CAS
65551-80-6- PubChem CID
- 340563
- DTXSID
DTXSID30321179
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 421
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Compound notes
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