Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N=C(/N)NCCCC(c1scc(n1)c2nc(c(o2)C)c3scc(n3)c4nc(c(o4)C)c5oc(cn5)C)NC |
InChI | InChI | 1.03 | InChI=1S/C24H27N9O3S2/c1-11-8-29-21(34-11)17-12(2)35-19(32-17)16-10-38-23(31-16)18-13(3)36-20(33-18)15-9-37-22(30-15)14(27-4)6-5-7-28-24(25)26/h8-10,14,27H,5-7H2,1-4H3,(H4,25,26,28)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | DLNDIMFVXZQSPM-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](CCCNC(N)=N)c1scc(n1)c2oc(C)c(n2)c3scc(n3)c4oc(C)c(n4)c5oc(C)cn5 |
SMILES | CACTVS | 3.385 | CN[CH](CCCNC(N)=N)c1scc(n1)c2oc(C)c(n2)c3scc(n3)c4oc(C)c(n4)c5oc(C)cn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(/N)\NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)c4nc(c(o4)C)c5ncc(o5)C)NC |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cnc(o1)c2c(oc(n2)c3csc(n3)c4c(oc(n4)c5csc(n5)C(CCCNC(=N)N)NC)C)C |