N-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethanehydrazonic acid
Basic information
- CAS
70863-03-5- Standard SMILES
Cn1c(=O)c2c(ncn2CC(=O)NN=C2SCC(=O)N2Cc2ccccc2)n(C)c1=O- InChIKey
OLGYNBRBCTUXJA-UHFFFAOYSA-N- Molecular formula
- C19H19N7O4S
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.12192329
Names & identifiers
- Preferred name
- N-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethanehydrazonic acid
- IUPAC
- N-[(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Names & synonyms
DTXSID30991139N-(3-Benzyl-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-Benzyl-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
70863-03-5- PubChem CID
- 325641
- DTXSID
DTXSID30991139
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 800
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Compound notes
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