Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2Nc1ncccc1NC2Cc4c3ccccc3nc4 |
InChI | InChI | 1.03 | InChI=1S/C16H14N4O/c21-16-14(19-13-6-3-7-17-15(13)20-16)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14,18-19H,8H2,(H,17,20,21)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | DNASGFXXJPEUMJ-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C1Nc2ncccc2N[C@@H]1Cc3c[nH]c4ccccc34 |
SMILES | CACTVS | 3.370 | O=C1Nc2ncccc2N[CH]1Cc3c[nH]c4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C[C@@H]3C(=O)Nc4c(cccn4)N3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CC3C(=O)Nc4c(cccn4)N3 |