Basic information
- CAS
314042-97-2- Standard SMILES
Cn1c(=O)c2c(ncn2CC(=O)Nc2nccs2)n(C)c1=O- InChIKey
MFFJBRVMBXDSLV-UHFFFAOYSA-N- Molecular formula
- C12H12N6O3S
- Average molar mass
- 320.33 g/mol
- Monoisotopic mass
- 320.06915944
Names & identifiers
- Preferred name
- 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
- IUPAC
- 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
- English name
- 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
- Molecular formula
- C12H12N6O3S
- Molecular weight
- 320.33
Names & synonyms
314042-97-22-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,3-thiazol-2-yl)acetamide2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamideF3229-00662-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(1,3-thiazol-2-yl)acetamideOprea1_319861Oprea1_453617MLS000765208CHEMBL1714075SCHEMBL10113920DTXSID901328826HMS2759B21
Show more names
7H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-N-2-thiazolyl-
SMSSF-0055272STK078560AKOS0006776062-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(thiazol-2-yl)acetamideSMR000288613ST50247087VU0356848-2AG-690/13114080
Database identifiers
- CAS
314042-97-2- PubChem CID
- 742946
- DTXSID
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 503
Experimental & physicochemical properties
Solubility26.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 8.35 · 8.35±0.50(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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