Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1c2ccc(cc2)Cn3c4cc(cc(c4nc3CCC)C)c6nc5ccccc5n6C |
SMILES_CANONICAL | CACTVS | 3.370 | CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(O)=O)c5nc6ccccc6n5C |
SMILES | CACTVS | 3.370 | CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(O)=O)c5nc6ccccc6n5C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C |
InChI | InChI | 1.03 | InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) |
InChIKey | InChI | 1.03 | RMMXLENWKUUMAY-UHFFFAOYSA-N |