Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n3c(OC)ccc4n1c(ncc1C)c2cccnc2N(c34)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCN1c2nc(OC)ccc2n3c(C)cnc3c4cccnc14 |
SMILES | CACTVS | 3.341 | CCN1c2nc(OC)ccc2n3c(C)cnc3c4cccnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C |
InChI | InChI | 1.03 | InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3 |
InChIKey | InChI | 1.03 | WCIBELXOPRCLEG-UHFFFAOYSA-N |