IFX
Summary
| Name: | 2-azanyl-4-oxidanylidene-N-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]-3H-pteridine-7-carboxamide |
| Synonyms: | (S)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-oxo-3,4-dihydropteridine-7-carboxamide |
| Formula: | C16 H16 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 340.337 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]-3~{H}-pteridine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16N6O3/c17-16-21-13-12(15(25)22-16)18-7-11(20-13)14(24)19-10(8-23)6-9-4-2-1-3-5-9/h1-5,7,10,23H,6,8H2,(H,19,24)(H3,17,20,21,22,25)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | KWFPHGVJBSZTTG-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[C@H](CO)Cc3ccccc3 |
| SMILES | CACTVS | 3.385 | NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](CO)Cc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](CO)NC(=O)c2cnc3c(n2)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(CO)NC(=O)c2cnc3c(n2)N=C(NC3=O)N |
