Basic information
- CAS
103022-52-2- Standard SMILES
Cn1c(=O)c2cn(c1=O)CCCn1cnc3c(ncnc31)SCCC2- InChIKey
SJWPTBFNZAZFSH-UHFFFAOYSA-N- Molecular formula
- C16H18N6O2S
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.12119501
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,5-Pyrimidino-6,9-purinophane
- IUPAC
- 20-methyl-14-thia-1,5,7,10,12,20-hexazatetracyclo[16.3.1.05,9.08,13]docosa-6,8,10,12,18(22)-pentaene-19,21-dione
- English name
- 1,5-Pyrimidino-6,9-purinophane
- Molecular formula
- C16H18N6O2S
- Molecular weight
- 358.41812
Names & synonyms
1,5-Pyrimidino-6,9-purinophanePMPP103022-52-2DTXSID10145613RefChem:73554DTXCID50681045~3~-Methyl-5~3~,5~4~-dihydro-5~2~H-9-thia-1(9,6)-purina-5(1,5)-pyrimidinacyclononaphane-5~2~,5~4~-dione
Database identifiers
- CAS
103022-52-2- PubChem CID
- 128232
- DTXSID
DTXSID10145613
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 585
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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