Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 |
InChIKey | InChI | 1.03 | IZEKFCXSFNUWAM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO |
SMILES | CACTVS | 3.385 | OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO |