Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H25N5O2S/c1-13(20-7-8-21(31-20)17-12-24-22-6-5-9-28(17)22)25-23-15-10-18(29-3)19(30-4)11-16(15)26-14(2)27-23/h7-8,10-13H,5-6,9H2,1-4H3,(H,25,26,27)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | XRGDXPBYPNBGJI-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2nc(C)nc(N[C@H](C)c3sc(cc3)c4cnc5CCCn45)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2nc(C)nc(N[CH](C)c3sc(cc3)c4cnc5CCCn45)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccc(s3)c4cnc5n4CCC5)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc2cc(c(cc2c(n1)NC(C)c3ccc(s3)c4cnc5n4CCC5)OC)OC |