1H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-2-thioxo-,(E)-
Basic information
- CAS
155814-29-2- Standard SMILES
CCCn1c(=O)c2[nH]c(/C=C/c3ccc(OC)c(OC)c3)nc2n(CCC)c1=S- InChIKey
UBTCNLGIOUVSQV-CSKARUKUSA-N- Molecular formula
- C21H26N4O3S
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.17256188
Names & identifiers
- Preferred name
- 1H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-2-thioxo-,(E)-
- IUPAC
- 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-2-sulfanylidene-7H-purin-6-one
- English name
- 1H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)- 1,3-dipropyl-2-thioxo-,(E)-
- Molecular formula
- C21H26N4O3S
- Molecular weight
- 414.52
Names & synonyms
155814-29-21H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-2-thioxo-,(E)-RefChem:1058245(E)-8-(3,4-Dimethoxystyryl)-1,3-dipropyl-2-thioxanthineUBTCNLGIOUVSQV-CSKARUKUSA-N8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-2-sulfanylidene-7H-purin-6-oneSCHEMBL77287791H-Purin-6-one, 1,2,3,7-tetrahydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)- 1,3-dipropyl-2-thioxo-,(E)-6H-Purin-6-one, 8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3,7-tetrahydro-1,3-dipropyl-2-thioxo-, (E)- (9CI)
Database identifiers
- CAS
155814-29-2- PubChem CID
- 6448974
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 617
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…