VDH
Summary
| Name: | N-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
| Synonyms: | N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
| Formula: | C20 H22 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 394.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H22N6O3/c1-3-25-11-13-8-14(4-5-16(13)21-7-6-19(25)28)23-20(29)15-10-22-17-9-18(27)24-26(17)12(15)2/h4-5,8-10,21H,3,6-7,11H2,1-2H3,(H,23,29)(H,24,27) |
| InChIKey | InChI | 1.03 | OCCBDBRLOQJNFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1Cc2cc(NC(=O)C3=C(C)N4NC(=O)C=C4N=C3)ccc2NCCC1=O |
| SMILES | CACTVS | 3.385 | CCN1Cc2cc(NC(=O)C3=C(C)N4NC(=O)C=C4N=C3)ccc2NCCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1Cc2cc(ccc2NCCC1=O)NC(=O)C3=C(N4C(=CC(=O)N4)N=C3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1Cc2cc(ccc2NCCC1=O)NC(=O)C3=C(N4C(=CC(=O)N4)N=C3)C |
