Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1Nc4c(C=C1)c(c3sc(c2cnccc2)nc3)nn4 |
InChI | InChI | 1.03 | InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20) |
InChIKey | InChI | 1.03 | JCIZDZAGSUATFA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2n[nH]c(c3sc(nc3)c4cccnc4)c2C=C1 |
SMILES | CACTVS | 3.385 | O=C1Nc2n[nH]c(c3sc(nc3)c4cccnc4)c2C=C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4 |