Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c3cc(c2nc1cc(ccc1n2)\C(=[NH2+])N)c(O)cc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(O)c(c1)c2[nH]c3ccc(cc3n2)C(N)=[NH2+] |
SMILES | CACTVS | 3.341 | COc1ccc(O)c(c1)c2[nH]c3ccc(cc3n2)C(N)=[NH2+] |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O |
InChI | InChI | 1.03 | InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1 |
InChIKey | InChI | 1.03 | ZFCKHJJALHETHG-UHFFFAOYSA-O |