8IE
Summary
| Name: | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine |
| Formula: | C18 H17 N5 S |
| Formal charge: | 0 |
| Formula weight: | 335.426 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-7-[(4~{R})-4-methyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]-12-thia-3,4,6,8-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,10-pentaene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CN(Cc2ccccc21)c1nc2ccsc2c2nnc(C)n21 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N5S/c1-11-9-22(10-13-5-3-4-6-14(11)13)18-19-15-7-8-24-16(15)17-21-20-12(2)23(17)18/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | GGQQENQZNLSCPW-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CN(Cc2ccccc12)c3nc4ccsc4c5nnc(C)n35 |
| SMILES | CACTVS | 3.385 | C[CH]1CN(Cc2ccccc12)c3nc4ccsc4c5nnc(C)n35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5[C@H](C4)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5C(C4)C |
