Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12c(C(=O)NC(N)=N1)ncn2CC(OCCP(O)(O)=O)CO |
InChI | InChI | 1.03 | InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(4-16)21-1-2-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | CRTHRZMQPBKEQP-LURJTMIESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2n(C[C@@H](CO)OCC[P](O)(O)=O)cnc2C(=O)N1 |
SMILES | CACTVS | 3.385 | NC1=Nc2n(C[CH](CO)OCC[P](O)(O)=O)cnc2C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=C(NC2=O)N |
SMILES | OpenEye OEToolkits | 1.9.2 | c1nc2c(n1CC(CO)OCCP(=O)(O)O)N=C(NC2=O)N |