A1CWW
Summary
| Name: | (6aS,10R)-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-one |
| Formula: | C10 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 189.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6aS,10R)-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-one |
| OpenEye OEToolkits | 3.1.0.0 | (6~{S})-2,8,13-triazatricyclo[7.4.0.0^{2,6}]trideca-1(13),9,11-trien-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1Nc2cccnc2N2CCCC12 |
| InChI | InChI | 1.06 | InChI=1S/C10H11N3O/c14-10-8-4-2-6-13(8)9-7(12-10)3-1-5-11-9/h1,3,5,8H,2,4,6H2,(H,12,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | PGPPFIDIJMNDBJ-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2cccnc2N3CCC[C@@H]13 |
| SMILES | CACTVS | 3.385 | O=C1Nc2cccnc2N3CCC[CH]13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(nc1)N3CCC[C@H]3C(=O)N2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(nc1)N3CCCC3C(=O)N2 |
