Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1(c6c(nc1c2c(C)n(nc2)CC)c(N3CCC(CC3)N4c5c(NC4=O)nccc5)ncn6)C |
InChI | InChI | 1.03 | InChI=1S/C23H26N10O/c1-4-32-14(2)16(12-27-32)20-28-18-21(30(20)3)25-13-26-22(18)31-10-7-15(8-11-31)33-17-6-5-9-24-19(17)29-23(33)34/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,24,29,34) |
InChIKey | InChI | 1.03 | WRPLWRLROFHFJF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1ncc(c1C)c2nc3c(ncnc3n2C)N4CCC(CC4)N5C(=O)Nc6ncccc56 |
SMILES | CACTVS | 3.385 | CCn1ncc(c1C)c2nc3c(ncnc3n2C)N4CCC(CC4)N5C(=O)Nc6ncccc56 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1c(c(cn1)c2nc3c(n2C)ncnc3N4CCC(CC4)N5c6cccnc6NC5=O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CCn1c(c(cn1)c2nc3c(n2C)ncnc3N4CCC(CC4)N5c6cccnc6NC5=O)C |