A1C93
Summary
| Name: | N-{[(3S)-oxolan-3-yl]methyl}pyrazine-2-carboxamide |
| Formula: | C10 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 207.229 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-{[(3S)-oxolan-3-yl]methyl}pyrazine-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCC1CCOC1)c1cnccn1 |
| InChI | InChI | 1.06 | InChI=1S/C10H13N3O2/c14-10(9-6-11-2-3-12-9)13-5-8-1-4-15-7-8/h2-3,6,8H,1,4-5,7H2,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | IDTUUUVVDYRELL-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC[C@@H]1CCOC1)c2cnccn2 |
| SMILES | CACTVS | 3.385 | O=C(NC[CH]1CCOC1)c2cnccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cnc(cn1)C(=O)NC[C@@H]2CCOC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cnc(cn1)C(=O)NCC2CCOC2 |
