Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2C=3N=C1C(=O)CCCC1(NC=3N=C(N)N2)C |
InChI | InChI | 1.03 | InChI=1S/C11H13N5O2/c1-11-4-2-3-5(17)7(11)13-6-8(16-11)14-10(12)15-9(6)18/h2-4H2,1H3,(H4,12,14,15,16,18)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | FFUUFCSJQNSUEJ-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12CCCC(=O)C1=NC3=C(N2)N=C(N)NC3=O |
SMILES | CACTVS | 3.385 | C[C]12CCCC(=O)C1=NC3=C(N2)N=C(N)NC3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N |