Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O1c2ccc(cc2OC1)Cc5nc3cc(NCCO)ccc3c4nc(nn45)N |
InChI | InChI | 1.03 | InChI=1S/C19H18N6O3/c20-19-23-18-13-3-2-12(21-5-6-26)9-14(13)22-17(25(18)24-19)8-11-1-4-15-16(7-11)28-10-27-15/h1-4,7,9,21,26H,5-6,8,10H2,(H2,20,24) |
InChIKey | InChI | 1.03 | QPVNTDBWWRFMIC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nn2c(Cc3ccc4OCOc4c3)nc5cc(NCCO)ccc5c2n1 |
SMILES | CACTVS | 3.385 | Nc1nn2c(Cc3ccc4OCOc4c3)nc5cc(NCCO)ccc5c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2 |