7-allyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

HCID 973905
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Basic information

Standard SMILES
C=CCn1cnc2c1c(=O)[nH]c(=O)n2C
InChIKey
YBOHKDKYZMHOPG-UHFFFAOYSA-N
Molecular formula
C9H10N4O2
Average molar mass
206.2 g/mol

Names & identifiers

Preferred name
7-allyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
IUPAC
3-methyl-7-prop-2-enylpurine-2,6-dione

Names & synonyms

7-allyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione3-methyl-7-allylxanthine7-allyl-3-methylxanthineChemDiv3_007057SCHEMBL9010501YBOHKDKYZMHOPG-UHFFFAOYSA-NHMS1493A17AKOS025156933CCG-120997IDI1_024967NCGC00178283-01SR-01000283407
Show more names
SR-01000283407-1BRD-K45611578-001-01-6

Database identifiers

PubChem CID
973905

Properties

Computed structural properties

XLogP
0
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Related reactions

5 records
New reaction record

Compound notes

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