6JX
Summary
| Name: | allyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate |
| Formula: | C14 H14 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 314.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | prop-2-en-1-yl [2-(methylamino)-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-6-yl]carbamate |
| OpenEye OEToolkits | 2.0.4 | prop-2-enyl ~{N}-[2-(methylamino)-8-oxidanylidene-3,7-dihydroimidazo[4,5-g]quinazolin-6-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(nc1c(cc2c(c1)N=C(NC2=O)NC(=O)OC[C@H]=C)n3)NC |
| InChI | InChI | 1.03 | InChI=1S/C14H14N6O3/c1-3-4-23-14(22)20-13-16-8-6-10-9(17-12(15-2)18-10)5-7(8)11(21)19-13/h3,5-6H,1,4H2,2H3,(H2,15,17,18)(H2,16,19,20,21,22) |
| InChIKey | InChI | 1.03 | SKMZNGUSNLOOPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1[nH]c2cc3N=C(NC(=O)OCC=C)NC(=O)c3cc2n1 |
| SMILES | CACTVS | 3.385 | CNc1[nH]c2cc3N=C(NC(=O)OCC=C)NC(=O)c3cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)NC(=O)OCC=C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)NC(=O)OCC=C |
