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Chemical ID: 7450202
Chemical ID:
7450202
Name [?]:
1-[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl]-2-imino-imidazolidin-4-one
SMILES [?]:
CC(C)Nc1nc(nc(n1)N2CC(=O)NC2=N)NC(C)C
InChi [?]:
InChI=1/C12H20N8O/c1-6(2)14-10-17-11(15-7(3)4)19-12(18-10)20-5-8(21)16-9(20)13/h6-7H,5H2,1-4H3,(H2,13,16,21)(H2,14,15,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,12,2,19,13,16,5,7,9,17,4,18,15,6,10,8,11,14/E:(1,2,3,4)(6,7)(10,11)(14,15)(18,19)/rA:21nCCCNCNCNCNNCCONCNNCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s11s15;w16;s7;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H20N8O |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.60227 |
Area: | 494.326 |
Solvation: | -2.75587 |
Coulombic: | -81.8122 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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