Basic information
- CAS
126480-57-7- Standard SMILES
COc1ccc(CCN=C(N)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC.Cl- InChIKey
JACFTJJUWLFTSV-UHFFFAOYSA-N- Molecular formula
- C20H27ClN6O4
- Average molar mass
- 450.9 g/mol
- Monoisotopic mass
- 450.1782311
Names & identifiers
- Preferred name
- 7H-Purine-7-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride
- IUPAC
- N'-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanimidamide;hydrochloride
Names & synonyms
126480-57-77H-Purine-7-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochlorideDTXSID90155194RefChem:311453DTXCID6077685AKOS024396537SR-01000536662SR-01000536662-1(1Z)-N'-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanimidamide--hydrogen chloride (1/1)
Database identifiers
- CAS
126480-57-7- PubChem CID
- 3079804
- DTXSID
DTXSID90155194
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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