Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OC)cc3 |
InChI | InChI | 1.03 | InChI=1S/C16H15N5O3/c1-24-10-6-5-9-3-2-4-13(11(9)7-10)21-8-12(19-16(18)23)14(20-21)15(17)22/h2-8H,1H3,(H2,17,22)(H3,18,19,23) |
InChIKey | InChI | 1.03 | RPIDLPZPJARENN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1 |
SMILES | CACTVS | 3.385 | COc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N |