0RB
Summary
| Name: | 2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide |
| Formula: | C10 H9 N9 O2 |
| Formal charge: | 0 |
| Formula weight: | 287.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-4-oxidanylidene-N-(1H-1,2,3-triazol-5-ylmethyl)-1H-pteridine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1cnnn1)c2nc3c(nc2)C(=O)N=C(N)N3 |
| InChI | InChI | 1.03 | InChI=1S/C10H9N9O2/c11-10-16-7-6(9(21)17-10)12-3-5(15-7)8(20)13-1-4-2-14-19-18-4/h2-3H,1H2,(H,13,20)(H,14,18,19)(H3,11,15,16,17,21) |
| InChIKey | InChI | 1.03 | IOLZYHQWMHJFBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=O)c2ncc(nc2N1)C(=O)NCc3[nH]nnc3 |
| SMILES | CACTVS | 3.370 | NC1=NC(=O)c2ncc(nc2N1)C(=O)NCc3[nH]nnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N |
