TQ3
Summary
| Name: | 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE |
| Formula: | C14 H12 N4 S |
| Formal charge: | 0 |
| Formula weight: | 268.337 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-(phenylsulfanyl)quinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.5.0 | 5-phenylsulfanylquinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n3c2c(c(Sc1ccccc1)ccc2)c(nc3N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1nc(N)c2c(Sc3ccccc3)cccc2n1 |
| SMILES | CACTVS | 3.341 | Nc1nc(N)c2c(Sc3ccccc3)cccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18) |
| InChIKey | InChI | 1.03 | BUFDQCGCADQQQY-UHFFFAOYSA-N |
