JV9
Summary
| Name: | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one |
| Formula: | C17 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 325.365 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC |
| InChI | InChI | 1.03 | InChI=1S/C17H19N5O2/c1-18-17-20-12-5-3-4-11(12)16(21-17)22-9-15(23)19-13-8-10(24-2)6-7-14(13)22/h6-8H,3-5,9H2,1-2H3,(H,19,23)(H,18,20,21) |
| InChIKey | InChI | 1.03 | BRTSQLXTBUCXNF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc2CCCc2c(n1)N3CC(=O)Nc4cc(OC)ccc34 |
| SMILES | CACTVS | 3.385 | CNc1nc2CCCc2c(n1)N3CC(=O)Nc4cc(OC)ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)OC)CCC2 |
