9-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
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Basic information
- CAS
958994-81-5- Standard SMILES
Cn1c(=O)c2ncn(Cc3nnc(N)s3)c2n(C)c1=O- InChIKey
QKDYPRKPEWPUOK-UHFFFAOYSA-N- Molecular formula
- C10H11N7O2S
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.06949379
Names & identifiers
- Preferred name
- 9-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
- IUPAC
- 9-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-dimethylpurine-2,6-dione
- English name
- 9-[(5-Amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
- Molecular formula
- C10H11N7O2S
- Molecular weight
- 293.3
Names & synonyms
958994-81-59-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dioneMFCD189130569-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-dimethylpurine-2,6-dione9-((5-Amino-1,3,4-thiadiazol-2-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione1H-purine-2,6-dione, 9-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3,9-dihydro-1,3-dimethyl-9-((5-Amino-1,3,4-thiadiazol-2-yl)methyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione9-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-dimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dioneC10H11N7O2SQKDYPRKPEWPUOK-UHFFFAOYSA-NALBB-016582STL261801
Show more names
9-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-dimethyl-xanthine
AKOS015959833Purine-2,6-dione, 9-(5-amino-[1,3,4]thiadiazol-2-ylmethyl)-1,3-dimethyl-3,9-dihydro-FA125300LS-05188CS-0325596H316009-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione
Database identifiers
- CAS
958994-81-5- PubChem CID
- 6424862
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
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Compound notes
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