Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H21BrN8O/c1-12-7-13(25-29-12)10-27-3-5-28(6-4-27)17-14(20)8-22-19-16(17)23-18(24-19)15-9-21-11-26(15)2/h7-9,11H,3-6,10H2,1-2H3,(H,22,23,24) |
InChIKey | InChI | 1.03 | QWRJMSZUKHRINI-UHFFFAOYSA-N |
SMILES | ACDLabs | 12.01 | Brc3cnc2nc(c1cncn1C)nc2c3N5CCN(Cc4noc(c4)C)CC5 |
SMILES_CANONICAL | CACTVS | 3.370 | Cn1cncc1c2[nH]c3c(ncc(Br)c3N4CCN(CC4)Cc5cc(C)on5)n2 |
SMILES | CACTVS | 3.370 | Cn1cncc1c2[nH]c3c(ncc(Br)c3N4CCN(CC4)Cc5cc(C)on5)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br |