Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C4SC(c3nc(/N=C2\C=CC(N1CCNCC1)=CC2)ncc3)=C(N4C)C |
SMILES_CANONICAL | CACTVS | 3.352 | CN1C(=O)SC(=C1C)c2ccnc(N=C3CC=C(C=C3)N4CCNCC4)n2 |
SMILES | CACTVS | 3.352 | CN1C(=O)SC(=C1C)c2ccnc(N=C3CC=C(C=C3)N4CCNCC4)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4 |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4 |
InChI | InChI | 1.03 | InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3,5-8,20H,4,9-12H2,1-2H3/b22-14+ |
InChIKey | InChI | 1.03 | SNCJEJRBHBIGKH-HYARGMPZSA-N |