4JV
Summary
| Name: | 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine |
| Formula: | C16 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 280.324 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine |
| OpenEye OEToolkits | 1.9.2 | 5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(c2c(N)nc(N)nc2c1)OCc3ccc(cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20) |
| InChIKey | InChI | 1.03 | XITJNLVILSJJHU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(COc2cccc3nc(N)nc(N)c23)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(COc2cccc3nc(N)nc(N)c23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N |
