XK0
Summary
| Name: | (4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine |
| Formula: | C12 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 236.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
| OpenEye OEToolkits | 1.9.2 | (4S)-4-(4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1=C(SCCC1(c2ccc(OC)cc2)C)N |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2OS/c1-12(7-8-16-11(13)14-12)9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,13,14)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | VKHSIJFRPDEMHV-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@]2(C)CCSC(=N2)N |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[C]2(C)CCSC(=N2)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@]1(CCSC(=N1)N)c2ccc(cc2)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(CCSC(=N1)N)c2ccc(cc2)OC |
