P62
Summary
| Name: | 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione |
| Formula: | C16 H21 Cl N4 O S |
| Formal charge: | 0 |
| Formula weight: | 352.882 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H21ClN4OS/c1-21(2)8-7-18-10-14-13(15(22)20-16(23)19-14)9-11-3-5-12(17)6-4-11/h3-6,18H,7-10H2,1-2H3,(H2,19,20,22,23) |
| InChIKey | InChI | 1.03 | BODROOXVZKSZLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCNCC1=C(Cc2ccc(Cl)cc2)C(=NC(=S)N1)O |
| SMILES | CACTVS | 3.385 | CN(C)CCNCC1=C(Cc2ccc(Cl)cc2)C(=NC(=S)N1)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc2)Cl |
