X7E
Summary
| Name: | (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE |
| Synonyms: | (R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) |
| Formula: | C19 H18 F2 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 376.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4R)-5-[(S)-(3,4-difluorophenyl)(hydroxy)methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2(1H)-thione |
| OpenEye OEToolkits | 1.6.1 | (4R)-5-[(S)-(3,4-difluorophenyl)-hydroxy-methyl]-4-(3-hydroxyphenyl)-1,6-dimethyl-3,4-dihydropyrimidine-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C2NC(c1cccc(O)c1)C(=C(N2C)C)C(O)c3ccc(F)c(F)c3 |
| SMILES_CANONICAL | CACTVS | 3.352 | CN1C(=C([C@@H](O)c2ccc(F)c(F)c2)[C@H](NC1=S)c3cccc(O)c3)C |
| SMILES | CACTVS | 3.352 | CN1C(=C([CH](O)c2ccc(F)c(F)c2)[CH](NC1=S)c3cccc(O)c3)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)[C@H](c3ccc(c(c3)F)F)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC1=C(C(NC(=S)N1C)c2cccc(c2)O)C(c3ccc(c(c3)F)F)O |
| InChI | InChI | 1.03 | InChI=1S/C19H18F2N2O2S/c1-10-16(18(25)12-6-7-14(20)15(21)9-12)17(22-19(26)23(10)2)11-4-3-5-13(24)8-11/h3-9,17-18,24-25H,1-2H3,(H,22,26)/t17-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | WGZRWWKQRQTPSR-MSOLQXFVSA-N |
