LBK
Summary
| Name: | 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine |
| Formula: | C18 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 309.362 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3O2/c1-12(13-7-5-4-6-8-13)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-12H,1-3H3,(H,19,20,21)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | RJFMUYZWDLSYSX-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC |
| SMILES | CACTVS | 3.385 | COc1cc2ncnc(N[CH](C)c3ccccc3)c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)Nc2c3cc(c(cc3ncn2)OC)OC |
