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3-(2-(tert-Butyldimethylsilyloxy)ethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

HCID 44128805
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Basic information

Standard SMILES
CC(C)(C)[Si](C)(C)OCCn1nnc2c(C(N)=O)ncn2c1=O
InChIKey
PKGKEDSEGIFDTL-UHFFFAOYSA-N
Molecular formula
C13H22N6O3Si
Average molar mass
338.44 g/mol

Names & identifiers

Preferred name
3-(2-(tert-Butyldimethylsilyloxy)ethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
IUPAC
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Names & synonyms

SCHEMBL2887095PKGKEDSEGIFDTL-UHFFFAOYSA-N3-(2-(tert-Butyldimethylsilyloxy)ethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Database identifiers

PubChem CID
44128805

Properties

Computed structural properties

Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
518

Related reactions

3 records
New reaction record
HRID 1541154 reaction equation
HRID 1541154As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2098284 reaction equation
HRID 2098284As productuspto-grants-2013_05
HRID 2098285 reaction equation
HRID 2098285As reactantuspto-grants-2013_05

Compound notes

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