Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ccc(cc1)n2cnnc2)NCCc3nc4c(n3)cc(c(c4)C)C |
InChI | InChI | 1.03 | InChI=1S/C20H20N6O/c1-13-9-17-18(10-14(13)2)25-19(24-17)7-8-21-20(27)15-3-5-16(6-4-15)26-11-22-23-12-26/h3-6,9-12H,7-8H2,1-2H3,(H,21,27)(H,24,25) |
InChIKey | InChI | 1.03 | QNOXZLGNUKPKFJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2[nH]c(CCNC(=O)c3ccc(cc3)n4cnnc4)nc2cc1C |
SMILES | CACTVS | 3.385 | Cc1cc2[nH]c(CCNC(=O)c3ccc(cc3)n4cnnc4)nc2cc1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4 |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4 |