Basic information
- Standard SMILES
CSc1ncc2ccc(=O)n(-c3cccc(NC(=O)OC(C)(C)C)c3)c2n1- InChIKey
NPAHVMFVKOBAHR-UHFFFAOYSA-N- Molecular formula
- C19H20N4O3S
- Average molar mass
- 384.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3-(2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate
- IUPAC
- tert-butyl N-[3-(2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate
Names & synonyms
SCHEMBL16001206NPAHVMFVKOBAHR-UHFFFAOYSA-Ntert-butyl (3-(2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate
Database identifiers
- PubChem CID
- 86732006
- Nikkaji
- J3.331.763H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 592
Related reactions
6 records
Compound notes
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