Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1NC(c2c1nc(c2)c3c5c(ccc3)C(N(C(NC4(CC4)C)=N5)C6(CC6)C)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C23H25N5O2/c1-12-17-15(19(29)24-12)11-16(25-17)13-5-4-6-14-18(13)26-21(27-22(2)7-8-22)28(20(14)30)23(3)9-10-23/h4-6,11-12,25H,7-10H2,1-3H3,(H,24,29)(H,26,27)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | WPKXXVMGORDACP-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N(C(=Nc34)NC5(C)CC5)C6(C)CC6 |
SMILES | CACTVS | 3.385 | C[CH]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N(C(=Nc34)NC5(C)CC5)C6(C)CC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1 |