0SW
Summary
| Name: | N-(2-phenylethyl)quinazolin-4-amine |
| Formula: | C16 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 249.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-phenylethyl)quinazolin-4-amine |
| OpenEye OEToolkits | 1.7.6 | N-(2-phenylethyl)quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(cccc1)c(nc2)NCCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-17-16-14-8-4-5-9-15(14)18-12-19-16/h1-9,12H,10-11H2,(H,17,18,19) |
| InChIKey | InChI | 1.03 | YKOSADJQCBRMRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C(Cc1ccccc1)Nc2ncnc3ccccc23 |
| SMILES | CACTVS | 3.370 | C(Cc1ccccc1)Nc2ncnc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCNc2c3ccccc3ncn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCNc2c3ccccc3ncn2 |
