JZM
Summary
| Name: | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine |
| Formula: | C14 H11 Cl N4 S |
| Formal charge: | 0 |
| Formula weight: | 302.782 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.6.1 | 5-(4-chlorophenyl)sulfanylquinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc3ccc(Sc2c1c(nc(nc1N)N)ccc2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1nc(N)c2c(Sc3ccc(Cl)cc3)cccc2n1 |
| SMILES | CACTVS | 3.352 | Nc1nc(N)c2c(Sc3ccc(Cl)cc3)cccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N |
| InChI | InChI | 1.03 | InChI=1S/C14H11ClN4S/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19) |
| InChIKey | InChI | 1.03 | AVRPDIOCAAWICH-UHFFFAOYSA-N |
