Chemical ID: 5040253

Cc1ccc(cc1)C=NNc2[nH]c3c(n2)c(=O)n(c(=O)n3C)C
Chemical ID:
5040253
Name [?]:
1,3-dimethyl-8-(p-tolylmethyleneaminoamino)-9H-purine-2,6-dione
SMILES [?]:
Cc1ccc(cc1)C=NNc2[nH]c3c(n2)c(=O)n(c(=O)n3C)C
InChi [?]:
InChI=1/C15H16N6O2/c1-9-4-6-10(7-5-9)8-16-19-14-17-11-12(18-14)20(2)15(23)21(3)13(11)22/h4-8H,1-3H3,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,23,3,7,4,6,8,2,5,14,13,16,11,19,9,15,12,10,21,18,17,20/E:(4,5)(6,7)/rA:23nCCCCCCCCNNCNCCNCONCONCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;s11;s12;d13;d11s14;s14;d16;s16;s18;d19;s13s19;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N6O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.27151
Area:508.696
Solvation:-3.4459
Coulombic:-62.8711
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:312.327
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.77
LogP (Chemaxon):2.98

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Descriptor Annotations

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