Chemical ID: 5817248

Cn1c2c(c(=O)n(c1=O)C)[nH]c(=O)[nH]2
Chemical ID:
5817248
Name [?]:
1,3-dimethyl-7,9-dihydropurine-2,6,8-trione
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)[nH]c(=O)[nH]2
InChi [?]:
InChI=1/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)
InChi Info:
AuxInfo=1/1/N:1,10,4,3,5,12,8,11,14,2,7,6,13,9/rA:14nCNCCCONCOCNCON/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;d12;s3s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N4O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.90221
Area:336.156
Solvation:-2.50168
Coulombic:-67.6992
Bond Count [?]
All:15
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:196.164
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-1.34
LogP (Chemaxon):0.45

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