Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccc(C(=O)NC)cc1)Nc2nc(c3c(n2)ncc3)c4cn(CCC)nc4 |
InChI | InChI | 1.03 | InChI=1S/C20H21N7O/c1-3-10-27-12-14(11-23-27)17-16-8-9-22-18(16)26-20(25-17)24-15-6-4-13(5-7-15)19(28)21-2/h4-9,11-12H,3,10H2,1-2H3,(H,21,28)(H2,22,24,25,26) |
InChIKey | InChI | 1.03 | FLBLXKNWKAGVEB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C(=O)NC)nc4[nH]ccc24 |
SMILES | CACTVS | 3.385 | CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C(=O)NC)nc4[nH]ccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCn1cc(cn1)c2c3cc[nH]c3nc(n2)Nc4ccc(cc4)C(=O)NC |