810
Summary
| Name: | ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl]carbamate |
| Formula: | C13 H14 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 302.289 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl]carbamate |
| OpenEye OEToolkits | 2.0.4 | ethyl ~{N}-[2-(methylamino)-8-oxidanylidene-1,7-dihydroimidazo[4,5-g]quinazolin-6-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=Nc3c1cc2nc(nc2c3)NC)NC(=O)OCC |
| InChI | InChI | 1.03 | InChI=1S/C13H14N6O3/c1-3-22-13(21)19-12-15-7-5-9-8(16-11(14-2)17-9)4-6(7)10(20)18-12/h4-5H,3H2,1-2H3,(H2,14,16,17)(H2,15,18,19,20,21) |
| InChIKey | InChI | 1.03 | KXOJIFFEGXMDQZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)NC1=Nc2cc3nc(NC)[nH]c3cc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)NC1=Nc2cc3nc(NC)[nH]c3cc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCOC(=O)NC1=Nc2cc3c(cc2C(=O)N1)[nH]c(n3)NC |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCOC(=O)NC1=Nc2cc3c(cc2C(=O)N1)[nH]c(n3)NC |
