1Q4
Summary
| Name: | 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one |
| Formula: | C13 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 244.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one |
| OpenEye OEToolkits | 1.7.6 | 4-(cyclohexylamino)-7H-pyrido[3,4-d]pyrimidin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2ncnc(c2C=CN1)NC3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4O/c18-13-11-10(6-7-14-13)12(16-8-15-11)17-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,18)(H,15,16,17) |
| InChIKey | InChI | 1.03 | FCTPOQHJQPWBOI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1NC=Cc2c(NC3CCCCC3)ncnc12 |
| SMILES | CACTVS | 3.370 | O=C1NC=Cc2c(NC3CCCCC3)ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O |
