A1EM5
Summary
| Name: | ~{N}4-(9-ethylcarbazol-3-yl)-~{N}2-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine |
| Formula: | C25 H30 N6 O |
| Formal charge: | 0 |
| Formula weight: | 430.545 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}4-(9-ethylcarbazol-3-yl)-~{N}2-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H30N6O/c1-2-31-22-7-4-3-6-20(22)21-18-19(8-9-23(21)31)28-24-10-12-27-25(29-24)26-11-5-13-30-14-16-32-17-15-30/h3-4,6-10,12,18H,2,5,11,13-17H2,1H3,(H2,26,27,28,29) |
| InChIKey | InChI | 1.06 | AFTZZRFCMOAFCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c2ccccc2c3cc(Nc4ccnc(NCCCN5CCOCC5)n4)ccc13 |
| SMILES | CACTVS | 3.385 | CCn1c2ccccc2c3cc(Nc4ccnc(NCCCN5CCOCC5)n4)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c2ccccc2c3c1ccc(c3)Nc4ccnc(n4)NCCCN5CCOCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c2ccccc2c3c1ccc(c3)Nc4ccnc(n4)NCCCN5CCOCC5 |
