Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3(c1ccc(cc1)O)c(c2ccc(cc2)O)c(nn3)NCc4cncn4 |
InChI | InChI | 1.03 | InChI=1S/C19H17N5O2/c25-15-5-1-12(2-6-15)17-18(13-3-7-16(26)8-4-13)23-24-19(17)21-10-14-9-20-11-22-14/h1-9,11,25-26H,10H2,(H,20,22)(H2,21,23,24) |
InChIKey | InChI | 1.03 | QNVXUJBXEJSMQO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1)c2n[nH]c(NCc3c[nH]cn3)c2c4ccc(O)cc4 |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)c2n[nH]c(NCc3c[nH]cn3)c2c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O |