DX6
Summary
| Name: | 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| Formula: | C14 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 254.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-5-phenethyl-3,7-dihydropyrrolo[3,2-e]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(cnc2N=C(N1)N)CCc3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2[nH]cc(CCc3ccccc3)c2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2[nH]cc(CCc3ccccc3)c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N |
| InChI | InChI | 1.03 | InChI=1S/C14H14N4O/c15-14-17-12-11(13(19)18-14)10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,18,19) |
| InChIKey | InChI | 1.03 | GPZHVIFHNQJWLA-UHFFFAOYSA-N |
