U2O
Summary
| Name: | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide |
| Formula: | C15 H17 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 320.774 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H17ClN4O2/c1-3-6-17-15-18-12-5-4-10(16)8-11(12)13(19-15)7-9(2)14(21)20-22/h3-5,8-9,22H,1,6-7H2,2H3,(H,20,21)(H,17,18,19)/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | VGJWDXMUBQZRCH-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cc1nc(NCC=C)nc2ccc(Cl)cc12)C(=O)NO |
| SMILES | CACTVS | 3.385 | C[CH](Cc1nc(NCC=C)nc2ccc(Cl)cc12)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](Cc1c2cc(ccc2nc(n1)NCC=C)Cl)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1c2cc(ccc2nc(n1)NCC=C)Cl)C(=O)NO |
