5GQ
Summary
| Name: | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol |
| Formula: | C9 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 164.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O/c1-7-2-3-9-10-4-8(12)6-11(9)5-7/h2-3,5,8,12H,4,6H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | ZXHXLZFWEYQXTL-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN2C[C@@H](O)CN=C2C=C1 |
| SMILES | CACTVS | 3.385 | CC1=CN2C[CH](O)CN=C2C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC1=CN2CC(CN=C2C=C1)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC1=CN2CC(CN=C2C=C1)O |
