Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1 |
InChI | InChI | 1.06 | InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23) |
InChIKey | InChI | 1.06 | GPSZYOIFQZPWEJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(N)sc1c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2 |
SMILES | CACTVS | 3.385 | Cc1nc(N)sc1c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)N)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4 |