ITE
Summary
| Name: | 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| Formula: | C10 H9 N5 O |
| Formal charge: | 0 |
| Formula weight: | 215.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| OpenEye OEToolkits | 1.7.2 | 2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c3cc1nc(nc1cc3N=CN2)NC |
| SMILES_CANONICAL | CACTVS | 3.370 | CNc1[nH]c2cc3C(=O)NC=Nc3cc2n1 |
| SMILES | CACTVS | 3.370 | CNc1[nH]c2cc3C(=O)NC=Nc3cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CNc1[nH]c2cc3c(cc2n1)N=CNC3=O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CNc1[nH]c2cc3c(cc2n1)N=CNC3=O |
| InChI | InChI | 1.03 | InChI=1S/C10H9N5O/c1-11-10-14-7-2-5-6(3-8(7)15-10)12-4-13-9(5)16/h2-4H,1H3,(H2,11,14,15)(H,12,13,16) |
| InChIKey | InChI | 1.03 | DGRUEIDKEKQZFU-UHFFFAOYSA-N |
