A1EU2
Summary
| Name: | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine |
| Formula: | C17 H18 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 327.811 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)-5,6,7,8-tetrahydroquinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H18ClN5/c1-22(12-7-8-15-11(9-12)10-19-23(15)2)16-13-5-3-4-6-14(13)20-17(18)21-16/h7-10H,3-6H2,1-2H3 |
| InChIKey | InChI | 1.06 | FLRAVSQSLNHKTN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4CCCCc34 |
| SMILES | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4CCCCc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4c(nc(n3)Cl)CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4c(nc(n3)Cl)CCCC4 |
