Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c4cc3nc(c2cc1cccnc1n2CC)n(c3c(OC)c4)C)N5CCCC(N)C5 |
InChI | InChI | 1.03 | InChI=1S/C24H28N6O2/c1-4-30-19(12-15-7-5-9-26-22(15)30)23-27-18-11-16(13-20(32-3)21(18)28(23)2)24(31)29-10-6-8-17(25)14-29/h5,7,9,11-13,17H,4,6,8,10,14,25H2,1-3H3/t17-/m1/s1 |
InChIKey | InChI | 1.03 | JCCVZBCVMBEDEN-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(cc2cccnc12)c3nc4cc(cc(OC)c4n3C)C(=O)N5CCC[C@@H](N)C5 |
SMILES | CACTVS | 3.385 | CCn1c(cc2cccnc12)c3nc4cc(cc(OC)c4n3C)C(=O)N5CCC[CH](N)C5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCC[C@H](C5)N |
SMILES | OpenEye OEToolkits | 1.9.2 | CCn1c(cc2c1nccc2)c3nc4cc(cc(c4n3C)OC)C(=O)N5CCCC(C5)N |