Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ncnc2nccc12)N4C(C3CCC3)CCC4 |
InChI | InChI | 1.03 | InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | BDDRHCCHCFMOJZ-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CC(C1)[C@H]2CCCN2c3ncnc4[nH]ccc34 |
SMILES | CACTVS | 3.385 | C1CC(C1)[CH]2CCCN2c3ncnc4[nH]ccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C4CCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c[nH]c2c1c(ncn2)N3CCCC3C4CCC4 |