A1CAW
Summary
| Name: | (1P)-1-[(4S)-8H-spiro[furo[2,3-c]imidazo[1,2-a]pyridine-7,4'-piperidin]-3-yl]pyrimidine-2,4(1H,3H)-dione |
| Formula: | C17 H17 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 339.349 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1P)-1-[(4S)-8H-spiro[furo[2,3-c]imidazo[1,2-a]pyridine-7,4'-piperidin]-3-yl]pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 3.1.0.0 | 1-spiro[12-oxa-3,6-diazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7-tetraene-10,4'-piperidine]-5-ylpyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1C=CN(C(=O)N1)c1cnc2c3OCC4(CCNCC4)c3ccn12 |
| InChI | InChI | 1.06 | InChI=1S/C17H17N5O3/c23-12-2-8-22(16(24)20-12)13-9-19-15-14-11(1-7-21(13)15)17(10-25-14)3-5-18-6-4-17/h1-2,7-9,18H,3-6,10H2,(H,20,23,24) |
| InChIKey | InChI | 1.06 | HITBHRNBPVUXHP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=O)N(C=C1)c2cnc3n2ccc4c3OCC45CCNCC5 |
| SMILES | CACTVS | 3.385 | O=C1NC(=O)N(C=C1)c2cnc3n2ccc4c3OCC45CCNCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cn2c(cnc2c3c1C4(CCNCC4)CO3)N5C=CC(=O)NC5=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cn2c(cnc2c3c1C4(CCNCC4)CO3)N5C=CC(=O)NC5=O |
