ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
Basic information
- CAS
5288-58-4- Standard SMILES
CCOC(=O)C1=C(N)Oc2[nH]c(=S)[nH]c(=O)c2C12C(=O)N1c3c(cccc32)C(C)=CC1(C)C- InChIKey
SHRNQVZYGSVRMZ-UHFFFAOYSA-N- Molecular formula
- C23H22N4O5S
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.13109099
Names & identifiers
- Preferred name
- ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
- IUPAC
- ethyl 7'-amino-9,11,11-trimethyl-2,4'-dioxo-2'-sulfanylidenespiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
Names & synonyms
AKOS0039957955288-58-4DTXSID40409654Ethyl 7-amino-4',4',6'-trimethyl-2',4-dioxo-2-sulfanylidene-1,2,3,4-tetrahydro-2'H,4'H-spiro[pyrano[2,3-d]pyrimidine-5,1'-pyrrolo[3,2,1-ij]quinoline]-6-carboxylate
Database identifiers
- CAS
5288-58-4- PubChem CID
- 5203071
- DTXSID
DTXSID40409654
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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