Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C=1(C=CNC(=O)C=1c2nc3c(n2)cccc3)NC4CCC(CC4)N |
InChI | InChI | 1.03 | InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+ |
InChIKey | InChI | 1.03 | JLWGOAGEDWMEBT-TXEJJXNPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CC[C@H](CC1)NC2=C(C(=O)NC=C2)c3[nH]c4ccccc4n3 |
SMILES | CACTVS | 3.385 | N[CH]1CC[CH](CC1)NC2=C(C(=O)NC=C2)c3[nH]c4ccccc4n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N |
SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N |