A1CT9
Summary
| Name: | N-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine |
| Formula: | C14 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 260.355 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5~{H}-pyrano[4,3-b]pyridin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc(CNc2cnc3CCOCc3c2)s1 |
| InChI | InChI | 1.06 | InChI=1S/C14H16N2OS/c1-10-2-3-13(18-10)8-15-12-6-11-9-17-5-4-14(11)16-7-12/h2-3,6-7,15H,4-5,8-9H2,1H3 |
| InChIKey | InChI | 1.06 | HNPXMFOPNFTQPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CNc2cnc3CCOCc3c2)cc1 |
| SMILES | CACTVS | 3.385 | Cc1sc(CNc2cnc3CCOCc3c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(s1)CNc2cc3c(nc2)CCOC3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(s1)CNc2cc3c(nc2)CCOC3 |
