DH1
Summary
| Name: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE |
| Formula: | C17 H22 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 346.381 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | 5-[3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy-phenoxy]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCOc1cc(c(OC)cc1)Cc2cnc(nc2N)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(OCCCCC(O)=O)cc1Cc2cnc(N)nc2N |
| SMILES | CACTVS | 3.341 | COc1ccc(OCCCCC(O)=O)cc1Cc2cnc(N)nc2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H22N4O4/c1-24-14-6-5-13(25-7-3-2-4-15(22)23)9-11(14)8-12-10-20-17(19)21-16(12)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)(H4,18,19,20,21) |
| InChIKey | InChI | 1.03 | ALDCXILJAYAUTH-UHFFFAOYSA-N |
