28I
Summary
| Name: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide |
| Formula: | C16 H21 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 343.384 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-5-8-25-9-10)14(21-13)23-6-3-1-2-4-7-23/h5,8-9H,1-4,6-7H2,(H2,17,21)(H4,18,19,22,24) |
| InChIKey | InChI | 1.03 | XTKNHHMMUHAGKV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NC(=O)c1nc(c2cocc2)c(nc1N)N3CCCCCC3 |
| SMILES | CACTVS | 3.385 | NC(=N)NC(=O)c1nc(c2cocc2)c(nc1N)N3CCCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\N)/NC(=O)c1c(nc(c(n1)c2ccoc2)N3CCCCCC3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cocc1c2c(nc(c(n2)C(=O)NC(=N)N)N)N3CCCCCC3 |
