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Basic information
- Standard SMILES
Cn1c(=O)c2nc3sc4c(n3c2n(C)c1=O)C(=O)c1ccccc1C4=O- InChIKey
UKEMTDWFWSMKLU-UHFFFAOYSA-N- Molecular formula
- C17H10N4O4S
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.04227599
Names & identifiers
- Preferred name
- Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone, 1,3-dimethyl-
- IUPAC
- 4,6-dimethyl-11-thia-2,4,6,9-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),3(8),9,14,16,18-hexaene-5,7,13,20-tetrone
Names & synonyms
NSC634568NCIMech_000384CHEMBL2006333CCG-35736Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone, 1,3-dimethyl-NSC-634568NCI60_011508PD011297Naphtho[2',5]thiazole[2,3-g]purine-2,4,7,12-tetrone, 1,3-dimethyl-
Database identifiers
- PubChem CID
- 366232
- ChEMBL
CHEMBL2006333
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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