6ZG
Summary
| Name: | ~{N}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine |
| Formula: | C18 H21 N5 |
| Formal charge: | 0 |
| Formula weight: | 307.393 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | ~{N}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21N5/c1-13-4-6-14(7-5-13)15-12-16-17(21-11-10-20-16)18(23-15)22-9-3-2-8-19/h4-7,10-12H,2-3,8-9,19H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.03 | FYJFZOONLWHKMF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)c2cc3nccnc3c(NCCCCN)n2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)c2cc3nccnc3c(NCCCCN)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3 |
