Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c4c(ccc1c3c(c2cc(ccc2)C)nc(N)s3)nccc4 |
InChI | InChI | 1.03 | InChI=1S/C18H14N4S/c1-11-4-2-5-12(10-11)16-17(23-18(19)22-16)15-8-7-13-14(21-15)6-3-9-20-13/h2-10H,1H3,(H2,19,22) |
InChIKey | InChI | 1.03 | DKLCXLVLUXDLJI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)c2nc(N)sc2c3ccc4ncccc4n3 |
SMILES | CACTVS | 3.385 | Cc1cccc(c1)c2nc(N)sc2c3ccc4ncccc4n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4 |