TQ4
Summary
| Name: | 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE |
| Formula: | C15 H14 N4 S |
| Formal charge: | 0 |
| Formula weight: | 282.363 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 5-(4-methylphenyl)sulfanylquinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n3c2c(c(Sc1ccc(cc1)C)ccc2)c(nc3N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 |
| SMILES | CACTVS | 3.341 | Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19) |
| InChIKey | InChI | 1.03 | UOJFGEAPSYQDIP-UHFFFAOYSA-N |
