Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [N@H]=C(c1cc2c(cc1)nc(c2)c3cccc(c3)C)N |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(c1)c2[nH]c3ccc(cc3c2)C(N)=N |
SMILES | CACTVS | 3.341 | Cc1cccc(c1)c2[nH]c3ccc(cc3c2)C(N)=N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)N |
InChI | InChI | 1.03 | InChI=1S/C16H15N3/c1-10-3-2-4-11(7-10)15-9-13-8-12(16(17)18)5-6-14(13)19-15/h2-9,19H,1H3,(H3,17,18) |
InChIKey | InChI | 1.03 | KJUSXMYSVXZFDJ-UHFFFAOYSA-N |