DBQ
Summary
| Name: | DEBROMOHYMENIALDISINE |
| Formula: | C11 H11 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 245.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4Z)-4-(2-amino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one |
| OpenEye OEToolkits | 1.5.0 | (4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(\N=C(N)N1)=C3\c2ccnc2C(=O)NCC3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=N/C(C(=O)N1)=C2/CCNC(=O)c3[nH]ccc23 |
| SMILES | CACTVS | 3.341 | NC1=NC(C(=O)N1)=C2CCNC(=O)c3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1/C(=C\3/C(=O)NC(=N3)N)/CCNC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1C(=C3C(=O)NC(=N3)N)CCNC2=O |
| InChI | InChI | 1.03 | InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6- |
| InChIKey | InChI | 1.03 | JYRJOQGKGMHTOO-VURMDHGXSA-N |
