Chemical ID: 4111569

c1cc(ccc1C=NNc2nc3c(ncnc3n2C4C(C(C(O4)CO)O)O)N)O
Chemical ID:
4111569
Name [?]:
2-[6-amino-8-[(4-hydroxyphenyl)methyleneaminoamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
c1cc(ccc1C=NNc2nc3c(ncnc3n2C4C(C(C(O4)CO)O)O)N)O
InChi [?]:
InChI=1/C17H19N7O5/c18-14-11-15(20-7-19-14)24(16-13(28)12(27)10(6-25)29-16)17(22-11)23-21-5-8-1-3-9(26)4-2-8/h1-5,7,10,12-13,16,25-28H,6H2,(H,22,23)(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,24,15,6,3,22,12,21,20,13,17,19,10,28,14,16,8,11,9,18,25,29,26,27,23/E:(1,2)(3,4)/rA:29cCCCCCCCNNCNCCNCNCNCCCCOCOOONO/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s18;s19;s20;s21;s19s22;s22;s24;s21;s20;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N7O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:4
ZAP Information [?]
Total:6.24096
Area:617.906
Solvation:-9.20669
Coulombic:-123.868
Bond Count [?]
All:32
Single:24
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:401.377
H-Bond Donors:7
H-Bond Acceptors:8
XLogP:0.77
LogP (Chemaxon):1.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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