Chemical ID: 7460734

Cn1c2c(c(nc1=O)O)n(c(n2)NCc3ccco3)CCO
Chemical ID:
7460734
Name [?]:
8-(2-furylmethylamino)-6-hydroxy-7-(2-hydroxyethyl)-3-methyl-purin-2-one
SMILES [?]:
Cn1c2c(c(nc1=O)O)n(c(n2)NCc3ccco3)CCO
InChi [?]:
InChI=1/C13H15N5O4/c1-17-10-9(11(20)16-13(17)21)18(4-5-19)12(15-10)14-7-8-3-2-6-22-8/h2-3,6,19H,4-5,7H2,1H3,(H,14,15)(H,16,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,16,20,21,18,14,15,4,3,5,11,7,13,12,6,2,10,22,9,8,19/rA:22nCNCCCNCOONCNNCCCCCOCCO/rB:s1;s2;d3;s4;d5;s2s6;d7;s5;s4;s10;s3d11;s11;s13;s14;d15;s16;d17;s15s18;s10;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N5O4
All Atoms:37
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:8.05509
Area:500.582
Solvation:-4.45946
Coulombic:-89.5166
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-0.82
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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