0H5
Summary
| Name: | 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine |
| Formula: | C13 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 255.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-methoxy-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine |
| OpenEye OEToolkits | 1.7.6 | 6-methoxy-N-(1-methylpyrazol-3-yl)quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(Nc1nn(cc1)C)c3cc(OC)ccc3nc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5O/c1-18-6-5-12(17-18)16-13-10-7-9(19-2)3-4-11(10)14-8-15-13/h3-8H,1-2H3,(H,14,15,16,17) |
| InChIKey | InChI | 1.03 | BXVGMIRCZUTGFD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2ncnc(Nc3ccn(C)n3)c2c1 |
| SMILES | CACTVS | 3.370 | COc1ccc2ncnc(Nc3ccn(C)n3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC |
