4EZ
Summary
| Name: | {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol |
| Formula: | C14 H23 N5 O |
| Formal charge: | 0 |
| Formula weight: | 277.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol |
| OpenEye OEToolkits | 1.9.2 | [(4-azanyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl-hexyl-amino]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)N(CCCCCC)Cc2c1ncnc(c1nc2)N |
| InChI | InChI | 1.03 | InChI=1S/C14H23N5O/c1-2-3-4-5-6-19(10-20)8-11-7-16-13-12(11)17-9-18-14(13)15/h7,9,16,20H,2-6,8,10H2,1H3,(H2,15,17,18) |
| InChIKey | InChI | 1.03 | OHTIHCJDNXLIDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCN(CO)Cc1c[nH]c2c(N)ncnc12 |
| SMILES | CACTVS | 3.385 | CCCCCCN(CO)Cc1c[nH]c2c(N)ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO |
