1-(3,5-Dimethoxybenzyl)-5-isopropyl-6-(3,5-dimethyl-phenyl)thio-2,4-pyrimidinedione

HCID 15957737
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Basic information

Standard SMILES
COc1cc(Cn2c(Sc3cc(C)cc(C)c3)c(C(C)C)c(=O)[nH]c2=O)cc(OC)c1
InChIKey
JZYYIJFYNWZVBB-UHFFFAOYSA-N
Molecular formula
C24H28N2O4S
Average molar mass
440.6 g/mol

Names & identifiers

Preferred name
1-(3,5-Dimethoxybenzyl)-5-isopropyl-6-(3,5-dimethyl-phenyl)thio-2,4-pyrimidinedione
IUPAC
1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidine-2,4-dione

Names & synonyms

SCHEMBL6086149JZYYIJFYNWZVBB-UHFFFAOYSA-N1-(3,5-Dimethoxybenzyl)-5-isopropyl-6-(3,5-dimethyl-phenyl)thio-2,4-pyrimidinedione1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-isopropyl-pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-(3,5-dimethoxyphenyl)methyl-6-[(3,5-dimethylphenyl)thio]-5-isopropyl-

Database identifiers

PubChem CID
15957737

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
93.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

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