CX4
Summary
| Name: | 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine |
| Formula: | C12 H12 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 233.697 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine |
| OpenEye OEToolkits | 1.5.0 | 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc3ccc1c(ncnc1NCC2CC2)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc2c(NCC3CC3)ncnc2c1 |
| SMILES | CACTVS | 3.341 | Clc1ccc2c(NCC3CC3)ncnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1Cl)ncnc2NCC3CC3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1Cl)ncnc2NCC3CC3 |
| InChI | InChI | 1.03 | InChI=1S/C12H12ClN3/c13-9-3-4-10-11(5-9)15-7-16-12(10)14-6-8-1-2-8/h3-5,7-8H,1-2,6H2,(H,14,15,16) |
| InChIKey | InChI | 1.03 | ZXFUVGWLRJOTTC-UHFFFAOYSA-N |
