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Chemical ID: 7460734
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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