A1C0G
Summary
| Name: | 4-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine |
| Formula: | C12 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 203.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine |
| OpenEye OEToolkits | 3.1.0.0 | 4-methyl-2-[(2~{S})-2-methylazetidin-1-yl]-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1nc(nc2CCCc21)N1CCC1C |
| InChI | InChI | 1.06 | InChI=1S/C12H17N3/c1-8-6-7-15(8)12-13-9(2)10-4-3-5-11(10)14-12/h8H,3-7H2,1-2H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | IUKLVJUZABBPPR-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCN1c2nc(C)c3CCCc3n2 |
| SMILES | CACTVS | 3.385 | C[CH]1CCN1c2nc(C)c3CCCc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c2c(nc(n1)N3CC[C@@H]3C)CCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c2c(nc(n1)N3CCC3C)CCC2 |
