PE2
Summary
Name: | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE |
Formula: | C10 H15 N5 O3 |
Formal charge: | 0 |
Formula weight: | 253.258 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1,9-dihydro-6H-purin-6-one |
OpenEye OEToolkits | 1.5.0 | 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-1H-purin-6-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N1)N)CCC(CO)CO |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(CCC(CO)CO)cnc2C(=O)N1 |
SMILES | CACTVS | 3.341 | NC1=Nc2n(CCC(CO)CO)cnc2C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N |
InChI | InChI | 1.03 | InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18) |
InChIKey | InChI | 1.03 | JNTOCHDNEULJHD-UHFFFAOYSA-N |