Chemical ID: 5732847

CC(=C)Cn1c2c(nc1NCCCOC)n(c(=O)nc2O)C
Chemical ID:
5732847
Name [?]:
6-hydroxy-8-(3-methoxypropylamino)-3-methyl-7-(2-methylprop-2-enyl)purin-2-one
SMILES [?]:
CC(=C)Cn1c2c(nc1NCCCOC)n(c(=O)nc2O)C
InChi [?]:
InChI=1/C14H21N5O3/c1-9(2)8-19-10-11(18(3)14(21)17-12(10)20)16-13(19)15-6-5-7-22-4/h1,5-8H2,2-4H3,(H,15,16)(H,17,20,21)
InChi Info:
AuxInfo=1/1/N:3,1,22,15,12,11,13,4,2,6,7,20,9,17,10,8,19,16,5,21,18,14/rA:22nCCCCNCCNCNCCCOCNCONCOC/rB:s1;d2;s2;s4;s5;d6;s7;s5d8;s9;s10;s11;s12;s13;s14;s7;s16;d17;s17;s6d19;s20;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N5O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.13766
Area:511.958
Solvation:-3.66128
Coulombic:-75.1979
Bond Count [?]
All:23
Single:18
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.348
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.12
LogP (Chemaxon):2.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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