Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(c3c(n(CC(NCCCN1CCOCC1)=O)n2)nc(cc3C)C)n4cccc4 |
InChI | InChI | 1.03 | InChI=1S/C21H28N6O2/c1-16-14-17(2)23-20-19(16)21(26-8-3-4-9-26)24-27(20)15-18(28)22-6-5-7-25-10-12-29-13-11-25/h3-4,8-9,14H,5-7,10-13,15H2,1-2H3,(H,22,28) |
InChIKey | InChI | 1.03 | AZMBNAXBTVHIKQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c2c(n1)n(CC(=O)NCCCN3CCOCC3)nc2n4cccc4 |
SMILES | CACTVS | 3.385 | Cc1cc(C)c2c(n1)n(CC(=O)NCCCN3CCOCC3)nc2n4cccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C |