Basic information
- Standard SMILES
COc1cc(C2C(C#N)=C(N)Oc3nc(C)nc(C)c32)cc(Br)c1OC- InChIKey
GSVVIVFTIQCJEU-UHFFFAOYSA-N- Molecular formula
- C18H17BrN4O3
- Average molar mass
- 417.3 g/mol
Names & identifiers
- Preferred name
- 7-Amino-5-(3-bromo-4,5-dimethoxy-phenyl)-2,4-dimethyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
- IUPAC
- 7-amino-5-(3-bromo-4,5-dimethoxyphenyl)-2,4-dimethyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Names & synonyms
SCHEMBL6014854GSVVIVFTIQCJEU-UHFFFAOYSA-N7-Amino-5-(3-bromo-4,5-dimethoxy-phenyl)-2,4-dimethyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Database identifiers
- PubChem CID
- 69636740
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 606
Related reactions
1 records
Compound notes
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