Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(nc(C(CCCN/C(N)=N)N)s1)c3oc(c(c2nc(cs2)C(=O)OCC)n3)C |
InChI | InChI | 1.03 | InChI=1S/C18H23N7O3S2/c1-3-27-17(26)12-8-30-16(24-12)13-9(2)28-14(25-13)11-7-29-15(23-11)10(19)5-4-6-22-18(20)21/h7-8,10H,3-6,19H2,1-2H3,(H4,20,21,22)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | LDXVRBOROSJVJC-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1csc(n1)c2nc(oc2C)c3csc(n3)[C@@H](N)CCCNC(N)=N |
SMILES | CACTVS | 3.385 | CCOC(=O)c1csc(n1)c2nc(oc2C)c3csc(n3)[CH](N)CCCNC(N)=N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(\N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N |
SMILES | OpenEye OEToolkits | 1.9.2 | CCOC(=O)c1csc(n1)c2c(oc(n2)c3csc(n3)C(CCCNC(=N)N)N)C |