4AO
Summary
| Name: | 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine |
| Formula: | C12 H15 N5 O |
| Formal charge: | 0 |
| Formula weight: | 245.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine |
| OpenEye OEToolkits | 1.9.2 | 2-(4-ethoxy-8-methyl-quinazolin-2-yl)guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(cccc1C)c(OCC)nc2\N=C(/N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H15N5O/c1-3-18-10-8-6-4-5-7(2)9(8)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17) |
| InChIKey | InChI | 1.03 | FIIINVTXWYOJPG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1nc(N=C(N)N)nc2c(C)cccc12 |
| SMILES | CACTVS | 3.385 | CCOc1nc(N=C(N)N)nc2c(C)cccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOc1c2cccc(c2nc(n1)N=C(N)N)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCOc1c2cccc(c2nc(n1)N=C(N)N)C |
