Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(C)C)c2cnc1ncc(nc12)c4nn(c3cc(Cl)ccc34)C |
InChI | InChI | 1.03 | InChI=1S/C18H17ClN6O/c1-9(2)22-18(26)12-7-20-17-16(12)23-13(8-21-17)15-11-5-4-10(19)6-14(11)25(3)24-15/h4-9H,1-3H3,(H,20,21)(H,22,26) |
InChIKey | InChI | 1.03 | QROQIIGDSDRLDZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)NC(=O)c1c[nH]c2ncc(nc12)c3nn(C)c4cc(Cl)ccc34 |
SMILES | CACTVS | 3.370 | CC(C)NC(=O)c1c[nH]c2ncc(nc12)c3nn(C)c4cc(Cl)ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl |