Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O1c2ccc(cc2OC1)Cc5nc3ccccc3c4nc(nn45)N |
InChI | InChI | 1.03 | InChI=1S/C17H13N5O2/c18-17-20-16-11-3-1-2-4-12(11)19-15(22(16)21-17)8-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2,(H2,18,21) |
InChIKey | InChI | 1.03 | GPDFQUXFCMBYJK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nn2c(Cc3ccc4OCOc4c3)nc5ccccc5c2n1 |
SMILES | CACTVS | 3.385 | Nc1nn2c(Cc3ccc4OCOc4c3)nc5ccccc5c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N |