Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C4CCCN(CCCSc1nc(c2c(n1)sc3c2C=CC(C3)C)N)C4 |
InChI | InChI | 1.03 | InChI=1S/C19H26N4S2/c1-13-6-7-14-15(12-13)25-18-16(14)17(20)21-19(22-18)24-11-5-10-23-8-3-2-4-9-23/h6-7,13H,2-5,8-12H2,1H3,(H2,20,21,22)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | NTILTIMGUJTVAB-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1Cc2sc3nc(SCCCN4CCCCC4)nc(N)c3c2C=C1 |
SMILES | CACTVS | 3.385 | C[CH]1Cc2sc3nc(SCCCN4CCCCC4)nc(N)c3c2C=C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1Cc2c(c3c(nc(nc3s2)SCCCN4CCCCC4)N)C=C1 |