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 |