Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N2C(N=C1N(c3cc(C#N)ccc3C=C1C2=O)c5cc(c4nnnn4)ccc5)=O |
InChI | InChI | 1.03 | InChI=1S/C19H10N8O2/c20-9-10-4-5-11-8-14-17(21-19(29)22-18(14)28)27(15(11)6-10)13-3-1-2-12(7-13)16-23-25-26-24-16/h1-8H,(H,22,28,29)(H,23,24,25,26) |
InChIKey | InChI | 1.03 | NDVGJTJBERLSGL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)C2=Cc3ccc(cc3N(c4cccc(c4)c5[nH]nnn5)C2=N1)C#N |
SMILES | CACTVS | 3.385 | O=C1NC(=O)C2=Cc3ccc(cc3N(c4cccc(c4)c5[nH]nnn5)C2=N1)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5 |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5 |