EWL
Summary
| Name: | 6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one |
| Formula: | C16 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 313.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-2-butoxy-9-(phenylmethyl)-7~{H}-purin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20) |
| InChIKey | InChI | 1.03 | HEKGNUXGYUZNHH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1 |
| SMILES | CACTVS | 3.385 | CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCOc1nc(c2c(n1)N(C(=O)N2)Cc3ccccc3)N |
