A1EMR
Summary
| Name: | 6-fluoranyl-8-(methylamino)-N-(pyrimidin-5-ylmethyl)-9H-pyrido[2,3-b]indole-3-carboxamide |
| Formula: | C18 H15 F N6 O |
| Formal charge: | 0 |
| Formula weight: | 350.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-fluoranyl-8-(methylamino)-~{N}-(pyrimidin-5-ylmethyl)-9~{H}-pyrido[2,3-b]indole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H15FN6O/c1-20-15-4-12(19)3-13-14-2-11(8-23-17(14)25-16(13)15)18(26)24-7-10-5-21-9-22-6-10/h2-6,8-9,20H,7H2,1H3,(H,23,25)(H,24,26) |
| InChIKey | InChI | 1.06 | UUTSYXMIEHJQPN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(F)cc2c1[nH]c3ncc(cc23)C(=O)NCc4cncnc4 |
| SMILES | CACTVS | 3.385 | CNc1cc(F)cc2c1[nH]c3ncc(cc23)C(=O)NCc4cncnc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1cc(cc2c1[nH]c3c2cc(cn3)C(=O)NCc4cncnc4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1cc(cc2c1[nH]c3c2cc(cn3)C(=O)NCc4cncnc4)F |
