Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c1c(ncn1C(C)C)c(nc2NC(CC)CO)OCc3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](CO)Nc1nc(OCc2ccccc2)c3ncn(C(C)C)c3n1 |
SMILES | CACTVS | 3.341 | CC[CH](CO)Nc1nc(OCc2ccccc2)c3ncn(C(C)C)c3n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](CO)Nc1nc2c(c(n1)OCc3ccccc3)ncn2C(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(CO)Nc1nc2c(c(n1)OCc3ccccc3)ncn2C(C)C |
InChI | InChI | 1.03 | InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | HGADNQLEUZSUEJ-OAHLLOKOSA-N |