Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CCCCC1(c5sc(c3cc2ccn(c2cc3)CCN4CCNCC4)nc5)N6CCCC6 |
InChI | InChI | 1.03 | InChI=1S/C27H37N5S/c1-2-9-27(10-3-1,32-13-4-5-14-32)25-21-29-26(33-25)23-6-7-24-22(20-23)8-15-31(24)19-18-30-16-11-28-12-17-30/h6-8,15,20-21,28H,1-5,9-14,16-19H2 |
InChIKey | InChI | 1.03 | PWLNVBJHVGPQID-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5n(CCN6CCNCC6)ccc5c4 |
SMILES | CACTVS | 3.385 | C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5n(CCN6CCNCC6)ccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 |