A1DNT
Summary
| Name: | 4-{[(3S)-thiolan-3-yl]oxy}-6,7-dihydro-5H-cyclopenta[d]pyrimidine |
| Formula: | C11 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 222.307 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-{[(3S)-thiolan-3-yl]oxy}-6,7-dihydro-5H-cyclopenta[d]pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | 4-[(3~{S})-thiolan-3-yl]oxy-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1nc(OC2CCSC2)c2CCCc2n1 |
| InChI | InChI | 1.06 | InChI=1S/C11H14N2OS/c1-2-9-10(3-1)12-7-13-11(9)14-8-4-5-15-6-8/h7-8H,1-6H2/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | FNOFNORQXKTCFO-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1Cc2ncnc(O[C@H]3CCSC3)c2C1 |
| SMILES | CACTVS | 3.385 | C1Cc2ncnc(O[CH]3CCSC3)c2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1nc2c(c(n1)O[C@H]3CCSC3)CCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1nc2c(c(n1)OC3CCSC3)CCC2 |
