GU7
Summary
| Name: | 2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE |
| Formula: | C10 H16 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 268.272 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-7-(2-{[2-hydroxy-1-(hydroxymethyl)ethyl]amino}ethyl)-1,7-dihydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-7-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c(ncn1CCNC(CO)CO)N=C(N2)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2ncn(CCNC(CO)CO)c2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2ncn(CCNC(CO)CO)c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N |
| InChI | InChI | 1.03 | InChI=1S/C10H16N6O3/c11-10-14-8-7(9(19)15-10)16(5-13-8)2-1-12-6(3-17)4-18/h5-6,12,17-18H,1-4H2,(H3,11,14,15,19) |
| InChIKey | InChI | 1.03 | XYCDSKWPYZSIDU-UHFFFAOYSA-N |
