Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(cccc1C4=C(c3nc2c(nccc2)cc3)CNN4)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(n1)C2=C(CNN2)c3ccc4ncccc4n3 |
SMILES | CACTVS | 3.341 | Cc1cccc(n1)C2=C(CNN2)c3ccc4ncccc4n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4 |
InChI | InChI | 1.03 | InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3 |
InChIKey | InChI | 1.03 | YRBHUKMLAGQYHS-UHFFFAOYSA-N |