N-[[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Basic information
- CAS
71016-18-7- Standard SMILES
Cn1c(=O)c2c(ncn2CC(=O)NN=C2SCC(=O)N2c2ccc(Br)cc2)n(C)c1=O- InChIKey
ACGLVSLIMASQBN-UHFFFAOYSA-N- Molecular formula
- C18H16BrN7O4S
- Average molar mass
- 506.3 g/mol
- Monoisotopic mass
- 505.01679
Names & identifiers
- Preferred name
- N-[[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
- IUPAC
- N-[[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Names & synonyms
71016-18-7DTXSID00991323N-[3-(4-Bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene](1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethanehydrazonic acidN-[3-(4-Bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethanehydrazonic acid
Database identifiers
- CAS
71016-18-7- PubChem CID
- 325640
- DTXSID
DTXSID00991323
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 819
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Compound notes
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