U1L
Summary
| Name: | 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide |
| Formula: | C15 H17 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 315.327 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H17N5O3/c1-3-8-16-15(22)13-18-11-7-5-4-6-10(11)12(19-13)17-9(2)14(21)20-23/h3-7,9,23H,1,8H2,2H3,(H,16,22)(H,20,21)(H,17,18,19)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | ISWZNEONBBEJIZ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1nc(nc2ccccc12)C(=O)NCC=C)C(=O)NO |
| SMILES | CACTVS | 3.385 | C[CH](Nc1nc(nc2ccccc12)C(=O)NCC=C)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)NO)Nc1c2ccccc2nc(n1)C(=O)NCC=C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NO)Nc1c2ccccc2nc(n1)C(=O)NCC=C |
