Chemical ID: 7222578

Cc1ccn(n1)Cc2nc3c4c(c(sc4ncn3n2)C)C
Chemical ID:
7222578
Name [?]:
None
SMILES [?]:
Cc1ccn(n1)Cc2nc3c4c(c(sc4ncn3n2)C)C
InChi [?]:
InChI=1/C14H14N6S/c1-8-4-5-19(17-8)6-11-16-13-12-9(2)10(3)21-14(12)15-7-20(13)18-11/h4-5,7H,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,20,3,4,7,17,2,12,13,8,11,10,15,16,9,6,19,5,18,14/rA:21nCCCCNNCCNCCCCSCNCNNCC/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;s11;d12;s13;d11s14;s15;d16;s10s17;d8s18;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N6S
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.25054
Area:485.981
Solvation:-2.89897
Coulombic:-20.2078
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:298.367
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.06
LogP (Chemaxon):3.17

Name Annotations

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Descriptor Annotations

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