Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCC)Nc1nc2cc(c(nc2s1)OCC3CCOC3)c4cncnc4 |
InChI | InChI | 1.03 | InChI=1S/C18H20N6O3S/c1-2-21-17(25)24-18-22-14-5-13(12-6-19-10-20-7-12)15(23-16(14)28-18)27-9-11-3-4-26-8-11/h5-7,10-11H,2-4,8-9H2,1H3,(H2,21,22,24,25)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | GVEJQEIIQCQRCC-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)Nc1sc2nc(OC[C@@H]3CCOC3)c(cc2n1)c4cncnc4 |
SMILES | CACTVS | 3.385 | CCNC(=O)Nc1sc2nc(OC[CH]3CCOC3)c(cc2n1)c4cncnc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCNC(=O)Nc1nc2cc(c(nc2s1)OCC3CCOC3)c4cncnc4 |