A1JV1
Summary
| Name: | 4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine |
| Formula: | C19 H21 N7 |
| Formal charge: | 0 |
| Formula weight: | 347.417 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21N7/c20-18-21-7-6-17(24-18)25-8-10-26(11-9-25)19-22-13-16(14-23-19)12-15-4-2-1-3-5-15/h1-7,13-14H,8-12H2,(H2,20,21,24) |
| InChIKey | InChI | 1.06 | MATWGKVLFMQQJD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nccc(n1)N2CCN(CC2)c3ncc(Cc4ccccc4)cn3 |
| SMILES | CACTVS | 3.385 | Nc1nccc(n1)N2CCN(CC2)c3ncc(Cc4ccccc4)cn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2cnc(nc2)N3CCN(CC3)c4ccnc(n4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2cnc(nc2)N3CCN(CC3)c4ccnc(n4)N |
