5-(4-(((4-methoxybenzyl)oxy)methyl)thiazol-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Basic information
- Standard SMILES
COc1ccc(COCc2csc(-c3[nH]cc4c3c(=O)n(C)c(=O)n4C)n2)cc1- InChIKey
JFCDIEHCDHMLLJ-UHFFFAOYSA-N- Molecular formula
- C20H20N4O4S
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- 5-(4-(((4-methoxybenzyl)oxy)methyl)thiazol-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
- IUPAC
- 5-[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]-1,3-dimethyl-6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
Names & synonyms
SCHEMBL15794609JFCDIEHCDHMLLJ-UHFFFAOYSA-N5-(4-(((4-methoxybenzyl)oxy)methyl)thiazol-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Database identifiers
- PubChem CID
- 136348408
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 615
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Related reactions
1 records
Compound notes
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