isopropyl 2-chloro-5-[3,6-dihydro-4-methyl-6-oxo-2-thioxo-1(2H)-pyrimidinyl]-benzoate

HCID 20130634
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Basic information

Standard SMILES
Cc1cc(=O)n(-c2ccc(Cl)c(C(=O)OC(C)C)c2)c(=S)[nH]1
InChIKey
KNAIHOMPYZOQRG-UHFFFAOYSA-N
Molecular formula
C15H15ClN2O3S
Average molar mass
338.8 g/mol

Names & identifiers

Preferred name
isopropyl 2-chloro-5-[3,6-dihydro-4-methyl-6-oxo-2-thioxo-1(2H)-pyrimidinyl]-benzoate
IUPAC
propan-2-yl 2-chloro-5-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)benzoate

Names & synonyms

SCHEMBL10645440KNAIHOMPYZOQRG-UHFFFAOYSA-Nisopropyl 2-chloro-5-[3,6-dihydro-4-methyl-6-oxo-2-thioxo-1(2H)-pyrimidinyl]-benzoate

Database identifiers

PubChem CID
20130634

Properties

Computed structural properties

XLogP
3
Topological polar surface area
90.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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isopropyl 2-chloro-5-[3,6-dihydro-4-methyl-6-oxo-2-thioxo-1(2H)-pyrimidinyl]-benzoate (HCID 20130634)｜Huagongshe