FW9
Summary
| Name: | N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine |
| Formula: | C19 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 350.371 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H18N4O3/c1-24-14-4-2-3-13(8-14)15-9-18(23-19(20)22-15)21-10-12-5-6-16-17(7-12)26-11-25-16/h2-9H,10-11H2,1H3,(H3,20,21,22,23) |
| InChIKey | InChI | 1.03 | FABQUVYDAXWUQP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2cc(NCc3ccc4OCOc4c3)nc(N)n2 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)c2cc(NCc3ccc4OCOc4c3)nc(N)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OCO4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OCO4 |
