Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1ccccn1c(c2Nc3ccnn3)c4nc(nc(n4)N)C |
InChI | InChI | 1.03 | InChI=1S/C14H13N9/c1-8-17-12(21-14(15)18-8)11-13(19-9-5-6-16-22-9)20-10-4-2-3-7-23(10)11/h2-7H,1H3,(H2,16,19,22)(H2,15,17,18,21) |
InChIKey | InChI | 1.03 | OEQWYIZFUDGMEW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4 |
SMILES | CACTVS | 3.370 | Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4 |