Y5L
Summary
| Name: | 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
| Formula: | C16 H15 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 330.769 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 4-(2-chloranyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)CCC4 |
| InChI | InChI | 1.03 | InChI=1S/C16H15ClN4O2/c1-23-9-5-6-13-12(7-9)18-14(22)8-21(13)15-10-3-2-4-11(10)19-16(17)20-15/h5-7H,2-4,8H2,1H3,(H,18,22) |
| InChIKey | InChI | 1.03 | JFFNCFQJSOVJEN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4CCCc34 |
| SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(Cl)nc4CCCc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)Cl)CCC4 |
