1H4
Summary
| Name: | N-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide |
| Formula: | C25 H32 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 448.561 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{3-[(5-cyclopropyl-2-{[3-(2-oxopyrrolidin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide |
| OpenEye OEToolkits | 1.7.6 | N-[3-[[5-cyclopropyl-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCCNc1nc(ncc1C2CC2)Nc3cccc(c3)N4C(=O)CCC4)C5CCC5 |
| InChI | InChI | 1.03 | InChI=1S/C25H32N6O2/c32-22-9-3-14-31(22)20-8-2-7-19(15-20)29-25-28-16-21(17-10-11-17)23(30-25)26-12-4-13-27-24(33)18-5-1-6-18/h2,7-8,15-18H,1,3-6,9-14H2,(H,27,33)(H2,26,28,29,30) |
| InChIKey | InChI | 1.03 | SLUGBVRQTHMCKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1CCCN1c2cccc(Nc3ncc(C4CC4)c(NCCCNC(=O)C5CCC5)n3)c2 |
| SMILES | CACTVS | 3.370 | O=C1CCCN1c2cccc(Nc3ncc(C4CC4)c(NCCCNC(=O)C5CCC5)n3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)N2CCCC2=O)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5 |
