Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C16H23N5OS/c1-8(2)5-6-11-13(10(4)22)9(3)19-14(11)12-7-23-16(20-12)21-15(17)18/h7-8,19H,5-6H2,1-4H3,(H4,17,18,20,21) |
InChIKey | InChI | 1.06 | YZWJPMSKJVDNPW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2 |
SMILES | CACTVS | 3.385 | CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)c2csc(n2)N=C(N)N)CCC(C)C)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)c2csc(n2)N=C(N)N)CCC(C)C)C(=O)C |