A1EU6
Summary
| Name: | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)-7,8-dihydro-5~{H}-pyrano[4,3-d]pyrimidin-4-amine |
| Formula: | C16 H16 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 329.784 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-methyl-~{N}-(1-methylindazol-5-yl)-7,8-dihydro-5~{H}-pyrano[4,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16ClN5O/c1-21(11-3-4-14-10(7-11)8-18-22(14)2)15-12-9-23-6-5-13(12)19-16(17)20-15/h3-4,7-8H,5-6,9H2,1-2H3 |
| InChIKey | InChI | 1.06 | CPBDCRLLLVCCAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4CCOCc34 |
| SMILES | CACTVS | 3.385 | Cn1ncc2cc(ccc12)N(C)c3nc(Cl)nc4CCOCc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4c(nc(n3)Cl)CCOC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2ccc(cc2cn1)N(C)c3c4c(nc(n3)Cl)CCOC4 |
