1OX
Summary
| Name: | 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Formula: | C16 H12 N4 O |
| Formal charge: | 0 |
| Formula weight: | 276.293 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-(benzimidazol-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C=C(N=C1C=CC=CN12)Cn3c4ccccc4nc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N4O/c21-16-9-12(18-15-7-3-4-8-20(15)16)10-19-11-17-13-5-1-2-6-14(13)19/h1-9,11H,10H2 |
| InChIKey | InChI | 1.03 | BCWFSHAZZLFCIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1C=C(Cn2cnc3ccccc23)N=C4C=CC=CN14 |
| SMILES | CACTVS | 3.370 | O=C1C=C(Cn2cnc3ccccc23)N=C4C=CC=CN14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3 |
