Chemical ID: 5780056

CCCCCCn1c2c(=O)[nH]c(=O)n(c2nc1NNC=O)C
Chemical ID:
5780056
Name [?]:
N-(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)aminoformamide
SMILES [?]:
CCCCCCn1c2c(=O)[nH]c(=O)n(c2nc1NNC=O)C
InChi [?]:
InChI=1/C13H20N6O3/c1-3-4-5-6-7-19-9-10(15-12(19)17-14-8-20)18(2)13(22)16-11(9)21/h8H,3-7H2,1-2H3,(H,14,20)(H,15,17)(H,16,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,4,5,6,20,8,15,9,17,12,19,16,11,18,14,7,21,10,13/rA:22nCCCCCCNCCONCONCNCNNCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s12;d8s14;s15;s7d16;s17;s18;s19;d20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N6O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.48488
Area:530.217
Solvation:-3.77055
Coulombic:-77.7401
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:308.337
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.74
LogP (Chemaxon):1.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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