Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1ccnc1Nc4ccc(Nc3ccc(Nc2nccn2)cc3)cc4 |
InChI | InChI | 1.03 | InChI=1S/C18H17N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-12,23H,(H2,19,20,24)(H2,21,22,25) |
InChIKey | InChI | 1.03 | JHMXUERQMCJRHG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [nH]1ccnc1Nc2ccc(Nc3ccc(Nc4[nH]ccn4)cc3)cc2 |
SMILES | CACTVS | 3.385 | [nH]1ccnc1Nc2ccc(Nc3ccc(Nc4[nH]ccn4)cc3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]ccn4 |