A1A3E
Summary
| Name: | (6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine |
| Formula: | C11 H14 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 251.715 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(4-chlorophenyl)-2-ethyl-2~{H}-1,3,5-triazine-4,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc(cc1)N1C(N)=NC(N)=NC1CC |
| InChI | InChI | 1.06 | InChI=1S/C11H14ClN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | WUZZGEOZQYQDRK-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]1N=C(N)N=C(N)N1c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CC[CH]1N=C(N)N=C(N)N1c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H]1N=C(N=C(N1c2ccc(cc2)Cl)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1N=C(N=C(N1c2ccc(cc2)Cl)N)N |
