Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#Cc1cccc(c1)c5c2c(ncnc2N4CCOC(c3nc(on3)C)C4)nc5 |
InChI | InChI | 1.03 | InChI=1S/C20H17N7O2/c1-12-25-18(26-29-12)16-10-27(5-6-28-16)20-17-15(9-22-19(17)23-11-24-20)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | SAOVTENLRUIQAM-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(n1)[C@H]2CN(CCO2)c3ncnc4[nH]cc(c5cccc(c5)C#N)c34 |
SMILES | CACTVS | 3.385 | Cc1onc(n1)[CH]2CN(CCO2)c3ncnc4[nH]cc(c5cccc(c5)C#N)c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1nc(no1)[C@H]2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1nc(no1)C2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N |