Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N\2=C(c1sc(nc1C)N)CC=NC/2=N\c4ccc(N3CCOCC3)cc4 |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1nc(N)sc1C2=NC(N=CC2)=Nc3ccc(cc3)N4CCOCC4 |
SMILES | CACTVS | 3.341 | Cc1nc(N)sc1C2=NC(N=CC2)=Nc3ccc(cc3)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2 |
InChI | InChI | 1.03 | 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/h2-5,7H,6,8-11H2,1H3,(H2,19,21)/b22-18- |
InChIKey | InChI | 1.03 | RPSZSAKYXPWBRR-PYCFMQQDSA-N |