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Chemical ID: 5780056
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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