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PDBeChem : Molecule Descriptors
Molecule : RZX
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
YREYEVIYCVEVJK-RUZDIDTESA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C |
4 |
SMILES
|
CACTVS |
3.370 |
COCCCOc1ccnc(C[S](=O)c2[nH]c3ccccc3n2)c1C |
5 |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OCCCOC |
6 |
Canonical SMILES
|
CACTVS |
3.370 |
COCCCOc1ccnc(C[S@@](=O)c2[nH]c3ccccc3n2)c1C |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC |
|