Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H19N9O/c1-28-19(20(7-8-20)13-5-3-2-4-6-13)26-17(27-28)14-10-23-15(21)18(25-14)29-11-12(9-24-29)16(22)30/h2-6,9-11H,7-8H2,1H3,(H2,21,23)(H2,22,30) |
InChIKey | InChI | 1.03 | IYQNBZMEHITBAA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)n5cc(cn5)C(N)=O |
SMILES | CACTVS | 3.385 | Cn1nc(nc1C2(CC2)c3ccccc3)c4cnc(N)c(n4)n5cc(cn5)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.5 | Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5 |