Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OCCC(=O)N1Cc2ccc(cc2CC1)Cn1nc(c2cc3nc(N)oc3cc2)c2c(N)ncnc21 |
InChI | InChI | 1.06 | InChI=1S/C25H24N8O3/c26-23-21-22(16-3-4-19-18(10-16)30-25(27)36-19)31-33(24(21)29-13-28-23)11-14-1-2-17-12-32(20(35)6-8-34)7-5-15(17)9-14/h1-4,9-10,13,34H,5-8,11-12H2,(H2,27,30)(H2,26,28,29) |
InChIKey | InChI | 1.06 | XZVYCZDBNLILPS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1oc2ccc(cc2n1)c3nn(Cc4ccc5CN(CCc5c4)C(=O)CCO)c6ncnc(N)c36 |
SMILES | CACTVS | 3.385 | Nc1oc2ccc(cc2n1)c3nn(Cc4ccc5CN(CCc5c4)C(=O)CCO)c6ncnc(N)c36 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cn3c4c(c(n3)c5ccc6c(c5)nc(o6)N)c(ncn4)N)CCN(C2)C(=O)CCO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cn3c4c(c(n3)c5ccc6c(c5)nc(o6)N)c(ncn4)N)CCN(C2)C(=O)CCO |