Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)c(nn5)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1n[nH]c2nnc(cc12)c3c4ccccn4nc3c5ccccc5 |
SMILES | CACTVS | 3.341 | Nc1n[nH]c2nnc(cc12)c3c4ccccn4nc3c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N |
InChI | InChI | 1.03 | InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23) |
InChIKey | InChI | 1.03 | XVECMUKVOMUNLE-UHFFFAOYSA-N |