H0V
Summary
| Name: | 5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| Formula: | C14 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 253.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 1.9.2 | 5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(c2c(nc1N)ncc2CCc3ccccc3)N |
| InChI | InChI | 1.03 | InChI=1S/C14H15N5/c15-12-11-10(7-6-9-4-2-1-3-5-9)8-17-13(11)19-14(16)18-12/h1-5,8H,6-7H2,(H5,15,16,17,18,19) |
| InChIKey | InChI | 1.03 | MGQFVODICYACIT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(N)c2c(CCc3ccccc3)c[nH]c2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(N)c2c(CCc3ccccc3)c[nH]c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N |
