Basic information
- CAS
16017-75-7- Standard SMILES
Cn1c(Cl)nc2ncn(C)c2c1=O- InChIKey
BLSBCAJHDNITIC-UHFFFAOYSA-N- Molecular formula
- C7H7ClN4O
- Average molar mass
- 198.61 g/mol
- Monoisotopic mass
- 198.0308386
Names & identifiers
- Preferred name
- 2-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one
- IUPAC
- 2-chloro-1,7-dimethylpurin-6-one
- English name
- 1,7-Dimethyl-2-chloro-6-oxo-purine
- Molecular formula
- C7H7ClN4O
- Molecular weight
- 198.61
Names & synonyms
16017-75-72-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-oneDTXSID70344347RefChem:258208DTXCID302954222-chloro-1,7-dimethylpurin-6-one2-chloro-1,7-dimethyl-purin-6-one2-Chloro-1,7-dimethyl-1H-purin-6(7H)-one6H-Purin-6-one,2-chloro-1,7-dihydro-1,7-dimethyl-SCHEMBL31288035BLSBCAJHDNITIC-UHFFFAOYSA-N2-chloro-1,7-dimethylhypoxanthine
Show more names
1,7-Dimethyl-2-chloro-6-oxo-purine2-CHLORO-1,7-DIMETHYL-HYPOXANTHINE6H-Purin-6-one, 2-chloro-1,7-dihydro-1,7-dimethyl-
AKOS001703200SB75222DB-081562Purin-6(1H)-one, 2-chloro-1,7-dimethyl-SR-01000519222SR-01000519222-12-Chloro-1,7-dimethyl-1,7-dihydro-6H-purin-6-one #
Database identifiers
- CAS
16017-75-7- PubChem CID
- 596109
- DTXSID
DTXSID70344347
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 280
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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