Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n5sc(Nc2n4ncc(c1cn(nc1)C)c4nc(c2)C3CCCNC3)cc5C |
SMILES_CANONICAL | CACTVS | 3.370 | Cn1cc(cn1)c2cnn3c(Nc4snc(C)c4)cc(nc23)[C@@H]5CCCNC5 |
SMILES | CACTVS | 3.370 | Cn1cc(cn1)c2cnn3c(Nc4snc(C)c4)cc(nc23)[CH]5CCCNC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@H]5CCCNC5 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)C5CCCNC5 |
InChI | InChI | 1.03 | InChI=1S/C19H22N8S/c1-12-6-18(28-25-12)24-17-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(17)19)14-9-21-26(2)11-14/h6-7,9-11,13,20,24H,3-5,8H2,1-2H3/t13-/m1/s1 |
InChIKey | InChI | 1.03 | GZPYWHILDNLCNY-CYBMUJFWSA-N |