Chemical ID: 6494180

c1ccc(cc1)C2C3C(=NC(=O)N2)NC(=O)N3
Chemical ID:
6494180
Name [?]:
6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione
SMILES [?]:
c1ccc(cc1)C2C3C(=NC(=O)N2)NC(=O)N3
InChi [?]:
InChI=1/C11H10N4O2/c16-10-12-7(6-4-2-1-3-5-6)8-9(14-10)15-11(17)13-8/h1-5,7-8H,(H3,12,13,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,9,11,15,13,17,10,14,12,16/E:(2,3)(4,5)/rA:17cCCCCCCCCCNCONNCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s7s11;s9;s14;d15;s8s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N4O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.15752
Area:388.547
Solvation:-2.55615
Coulombic:-64.3432
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:230.223
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-0.33
LogP (Chemaxon):0.46

Name Annotations

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Descriptor Annotations

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