7PB
Summary
| Name: | N-[3-[[6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide |
| Formula: | C21 H21 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 375.424 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[[6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H21N5O2/c1-28-18-7-3-6-17(11-18)25-20-12-19(22-13-23-20)24-15-4-2-5-16(10-15)26-21(27)14-8-9-14/h2-7,10-14H,8-9H2,1H3,(H,26,27)(H2,22,23,24,25) |
| InChIKey | InChI | 1.03 | RYKGVPOTSJYVHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4 |
