Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H21N7O/c1-25-14-8-6-13(7-9-14)24-16-15(22-23-24)10-19-17(21-16)20-12-4-2-11(18)3-5-12/h6-12H,2-5,18H2,1H3,(H,19,20,21)/t11-,12- |
InChIKey | InChI | 1.03 | OYCSZJFCBXZCDD-HAQNSBGRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)n2nnc3cnc(N[C@H]4CC[C@H](N)CC4)nc23 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)n2nnc3cnc(N[CH]4CC[CH](N)CC4)nc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(CC4)N)nn2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(CC4)N)nn2 |