A1H4X
Summary
| Name: | ~{N}7-cyclopentyl-5,6,8-tris(fluoranyl)-2-methyl-quinazoline-4,7-diamine |
| Formula: | C14 H15 F3 N4 |
| Formal charge: | 0 |
| Formula weight: | 296.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}7-cyclopentyl-5,6,8-tris(fluoranyl)-2-methyl-quinazoline-4,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H15F3N4/c1-6-19-12-8(14(18)20-6)9(15)10(16)13(11(12)17)21-7-4-2-3-5-7/h7,21H,2-5H2,1H3,(H2,18,19,20) |
| InChIKey | InChI | 1.06 | HQXRSISDOUCDLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(N)c2c(F)c(F)c(NC3CCCC3)c(F)c2n1 |
| SMILES | CACTVS | 3.385 | Cc1nc(N)c2c(F)c(F)c(NC3CCCC3)c(F)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(c(c(c(c2F)NC3CCCC3)F)F)c(n1)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(c(c(c(c2F)NC3CCCC3)F)F)c(n1)N |
