9OF
Summary
| Name: | 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine |
| Formula: | C15 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 255.315 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine |
| OpenEye OEToolkits | 2.0.6 | 8-methoxy-5,5-dimethyl-6~{H}-benzo[h]quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c23c(c1ccc(cc1CC2(C)C)OC)ncnc3N |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | JWHJIHHTDSIYQK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2c(CC(C)(C)c3c(N)ncnc23)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2c(CC(C)(C)c3c(N)ncnc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C |
