Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c3cccc(c3N=C(N1)CSc2nc(nn2)N)C |
InChI | InChI | 1.03 | InChI=1S/C12H12N6OS/c1-6-3-2-4-7-9(6)14-8(15-10(7)19)5-20-12-16-11(13)17-18-12/h2-4H,5H2,1H3,(H,14,15,19)(H3,13,16,17,18) |
InChIKey | InChI | 1.03 | QKVQIWSGFFADDR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cccc2C(=O)NC(=Nc12)CSc3[nH]nc(N)n3 |
SMILES | CACTVS | 3.370 | Cc1cccc2C(=O)NC(=Nc12)CSc3[nH]nc(N)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N |