A1I6L
Summary
| Name: | (5~{S},7~{S})-5-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine |
| Synonyms: | (S)-5-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine |
| Formula: | C21 H24 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 396.44 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{S},7~{S})-5-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H24N4O4/c1-26-15-7-5-13(6-8-15)16-11-17(25-21(24-16)22-12-23-25)14-9-18(27-2)20(29-4)19(10-14)28-3/h5-10,12,16-17H,11H2,1-4H3,(H,22,23,24)/t16-,17-/m0/s1 |
| InChIKey | InChI | 1.06 | VXTFGJLFBGYAAG-IRXDYDNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@@H]2C[C@H](n3ncnc3N2)c4cc(OC)c(OC)c(OC)c4 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH]2C[CH](n3ncnc3N2)c4cc(OC)c(OC)c(OC)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)[C@@H]2C[C@H](n3c(ncn3)N2)c4cc(c(c(c4)OC)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)C2CC(n3c(ncn3)N2)c4cc(c(c(c4)OC)OC)OC |
