Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C2N(C(=NC2(c1cc(nc(c1)CC)CC)c4cccc(c3cncnc3)c4)N)C |
SMILES_CANONICAL | CACTVS | 3.352 | CCc1cc(cc(CC)n1)[C@@]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cncnc4 |
SMILES | CACTVS | 3.352 | CCc1cc(cc(CC)n1)[C]2(N=C(N)N(C)C2=O)c3cccc(c3)c4cncnc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCc1cc(cc(n1)CC)C2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4 |
InChI | InChI | 1.03 | InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m0/s1 |
InChIKey | InChI | 1.03 | QQPRKWVAAAEILV-QHCPKHFHSA-N |