PBY
Summary
| Name: | N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine |
| Formula: | C10 H9 Cl N4 |
| Formal charge: | 0 |
| Formula weight: | 220.658 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine |
| OpenEye OEToolkits | 2.0.6 | ~{N}4-(3-chlorophenyl)pyrimidine-4,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(ccc1)Cl)Nc2cc(N)ncn2 |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClN4/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H3,12,13,14,15) |
| InChIKey | InChI | 1.03 | YEESRFWVWLZFDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(Nc2cccc(Cl)c2)ncn1 |
| SMILES | CACTVS | 3.385 | Nc1cc(Nc2cccc(Cl)c2)ncn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)Nc2cc(ncn2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)Nc2cc(ncn2)N |
