Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c2c(ccc1)C(OC2=O)c3c(C)nn(c3O)c5nc4ccccc4n5 |
InChI | InChI | 1.03 | InChI=1S/C19H14N4O3/c1-10-15(16-11-6-2-3-7-12(11)18(25)26-16)17(24)23(22-10)19-20-13-8-4-5-9-14(13)21-19/h2-9,16,24H,1H3,(H,20,21)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | JRMYHMGBFVARON-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nn(c(O)c1[C@@H]2OC(=O)c3ccccc23)c4[nH]c5ccccc5n4 |
SMILES | CACTVS | 3.385 | Cc1nn(c(O)c1[CH]2OC(=O)c3ccccc23)c4[nH]c5ccccc5n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)[C@H]4c5ccccc5C(=O)O4 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)C4c5ccccc5C(=O)O4 |