Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H15N9O3S/c1-25-15-14(16(29)26(2)18(25)30)27(9-20-15)7-13(28)22-17-21-12(8-31-17)10-3-5-11(6-4-10)23-24-19/h3-6,8-9,19H,7H2,1-2H3/p+1 |
InChIKey | InChI | 1.03 | BCMLFCZGHWVERY-UHFFFAOYSA-O |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)c2ncn(CC(=O)Nc3scc(n3)c4ccc(cc4)N=[N+]=N)c2C1=O |
SMILES | CACTVS | 3.385 | CN1C(=O)N(C)c2ncn(CC(=O)Nc3scc(n3)c4ccc(cc4)N=[N+]=N)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1c2c(n(cn2)CC(=O)Nc3nc(cs3)c4ccc(cc4)N=[N+]=N)C(=O)N(C1=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1c2c(n(cn2)CC(=O)Nc3nc(cs3)c4ccc(cc4)N=[N+]=N)C(=O)N(C1=O)C |