tert-butyl (3-(2-(methylsulfinyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate

HCID 86732007
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Basic information

Standard SMILES
CS(=O)c1ncc2ccc(=O)n(-c3cccc(NC(=O)OC(C)(C)C)c3)c2n1
InChIKey
CIEQFIAFHBRKNY-UHFFFAOYSA-N
Molecular formula
C19H20N4O4S
Average molar mass
400.5 g/mol
Monoisotopic mass
400.12052631

Names & identifiers

Preferred name
tert-butyl (3-(2-(methylsulfinyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate
IUPAC
tert-butyl N-[3-(2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate

Names & synonyms

SCHEMBL16001203CIEQFIAFHBRKNY-UHFFFAOYSA-Ntert-butyl (3-(2-(methylsulfinyl)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)carbamate

Database identifiers

PubChem CID
86732007

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
28

Related reactions

3 records
New reaction record

Linked notes

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