Chemical ID: 7222695

Cc1c(sc2c1c3nc(nn3cn2)c4ccnn4C)C
Chemical ID:
7222695
Name [?]:
None
SMILES [?]:
Cc1c(sc2c1c3nc(nn3cn2)c4ccnn4C)C
InChi [?]:
InChI=1/C13H12N6S/c1-7-8(2)20-13-10(7)12-16-11(17-19(12)6-14-13)9-4-5-15-18(9)3/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,15,16,12,2,3,14,6,9,7,5,13,17,8,10,18,11,4/rA:20nCCCSCCCNCNNCNCCCNNCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s8;d9;s7s10;s11;s5d12;s9;d14;s15;d16;s14s17;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N6S
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.05286
Area:453.588
Solvation:-2.28684
Coulombic:-21.8793
Bond Count [?]
All:23
Single:16
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:284.341
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.16
LogP (Chemaxon):2.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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