Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)Cc3cc4NC(=O)c2c(cc(c1cncn1C)cc2)Nc4cc3 |
InChI | InChI | 1.03 | InChI=1S/C20H18N4O3/c1-24-11-21-10-18(24)13-4-5-14-16(9-13)22-15-6-3-12(8-19(25)27-2)7-17(15)23-20(14)26/h3-7,9-11,22H,8H2,1-2H3,(H,23,26) |
InChIKey | InChI | 1.03 | VHPMIVHLGSAOKI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)c4cncn4C |
SMILES | CACTVS | 3.370 | COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)c4cncn4C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cn1cncc1c2ccc3c(c2)Nc4ccc(cc4NC3=O)CC(=O)OC |