0TO
Summary
| Name: | N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine |
| Formula: | C16 H14 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 315.754 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine |
| OpenEye OEToolkits | 1.7.6 | N-(3-chlorophenyl)-6,7-dimethoxy-quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)Nc3ncnc2c3cc(OC)c(OC)c2 |
| InChI | InChI | 1.03 | InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20) |
| InChIKey | InChI | 1.03 | GFNNBHLJANVSQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC |
| SMILES | CACTVS | 3.370 | COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)Cl |
