Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15- |
InChIKey | InChI | 1.03 | JPINYIWLTLYJCV-SHTZXODSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@H]1CC[C@@H](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23 |
SMILES | CACTVS | 3.385 | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.5 | CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4 |