Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ncnc2c1c(CC)cn2)N3CCCC(C3)Cc4nc(C)no4 |
InChI | InChI | 1.03 | InChI=1S/C17H22N6O/c1-3-13-8-18-16-15(13)17(20-10-19-16)23-6-4-5-12(9-23)7-14-21-11(2)22-24-14/h8,10,12H,3-7,9H2,1-2H3,(H,18,19,20)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | AUNHHPCCLQISEV-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1c[nH]c2ncnc(N3CCC[C@@H](C3)Cc4onc(C)n4)c12 |
SMILES | CACTVS | 3.385 | CCc1c[nH]c2ncnc(N3CCC[CH](C3)Cc4onc(C)n4)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)Cc4nc(no4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c[nH]c2c1c(ncn2)N3CCCC(C3)Cc4nc(no4)C |