Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)C=4C=CCC(=N\c1ncc3c(n1)c2sc(nc2CC3)C)\C=4 |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1sc2c(CCc3cnc(N=C4CC=CC(=C4)[N+]([O-])=O)nc23)n1 |
SMILES | CACTVS | 3.352 | Cc1sc2c(CCc3cnc(N=C4CC=CC(=C4)[N+]([O-])=O)nc23)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2 |
SMILES | OpenEye OEToolkits | 1.6.1 | Cc1nc2c(s1)-c3c(cnc(n3)N=C4CC=CC(=C4)[N+](=O)[O-])CC2 |
InChI | InChI | 1.03 | InChI=1S/C16H13N5O2S/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)24-9)19-11-3-2-4-12(7-11)21(22)23/h2,4,7-8H,3,5-6H2,1H3/b19-11- |
InChIKey | InChI | 1.03 | CMWWYSDXIZEJPA-ODLFYWEKSA-N |