Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2N(CCN(c1ccccc1)C2)CCCNc5nc(N)n3c(nc(n3)c4ccco4)n5 |
InChI | InChI | 1.03 | InChI=1S/C21H25N9O/c22-19-25-20(26-21-24-18(27-30(19)21)17-8-4-15-31-17)23-9-5-10-28-11-13-29(14-12-28)16-6-2-1-3-7-16/h1-4,6-8,15H,5,9-14H2,(H3,22,23,24,25,26,27) |
InChIKey | InChI | 1.03 | ATLUGIZVRICDDK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(NCCCN2CCN(CC2)c3ccccc3)nc4nc(nn14)c5occc5 |
SMILES | CACTVS | 3.385 | Nc1nc(NCCCN2CCN(CC2)c3ccccc3)nc4nc(nn14)c5occc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N |
SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N |