Chemical ID: 6143379

c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
Chemical ID:
6143379
Name [?]:
6-(9H-purin-6-ylsulfanyl)-2H-1,2,4-triazine-3,5-dione
SMILES [?]:
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
InChi [?]:
InChI=1/C8H5N7O2S/c16-5-7(14-15-8(17)13-5)18-6-3-4(10-1-9-3)11-2-12-6/h1-2H,(H,9,10,11,12)(H2,13,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,12,6,11,15,5,2,9,7,14,18,17,13,16,10/rA:18nCNCCNCNCNSCCONCONN/rB:s1;s2;s3;d1s4;d4;s6;d7;d3s8;s6;s10;s11;d12;s12;s14;d15;s15;d11s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5N7O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.1641
Area:406.361
Solvation:-2.99492
Coulombic:-69.9714
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:263.237
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.53
LogP (Chemaxon):-0.9

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Descriptor Annotations

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