Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]c4c(c1ccccc1)cccc4c3nc2cc(c(Cl)cc2n3)\C(=[NH2+])N |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1cc2nc([nH]c2cc1Cl)c3cccc(c3[O-])c4ccccc4 |
SMILES | CACTVS | 3.341 | NC(=[NH2+])c1cc2nc([nH]c2cc1Cl)c3cccc(c3[O-])c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl |
InChI | InChI | 1.03 | InChI=1S/C20H15ClN4O/c21-15-10-17-16(9-14(15)19(22)23)24-20(25-17)13-8-4-7-12(18(13)26)11-5-2-1-3-6-11/h1-10,26H,(H3,22,23)(H,24,25) |
InChIKey | InChI | 1.03 | RPGVMAPDADAHPV-UHFFFAOYSA-N |