ADK
Summary
Name: | 3-METHYL-3H-PURIN-6-YLAMINE |
Synonyms: | 3-METHYLADENINE |
Formula: | C6 H7 N5 |
Formal charge: | 0 |
Formula weight: | 149.153 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-methyl-3H-purin-6-amine |
OpenEye OEToolkits | 1.5.0 | 3-methylpurin-6-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | N=1C2=C(N=CN(C2=NC=1)C)N |
SMILES_CANONICAL | CACTVS | 3.341 | Cn1cnc(N)c2ncnc12 |
SMILES | CACTVS | 3.341 | Cn1cnc(N)c2ncnc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cnc(c-2ncnc12)N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cnc(c-2ncnc12)N |
InChI | InChI | 1.03 | InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3 |
InChIKey | InChI | 1.03 | FSASIHFSFGAIJM-UHFFFAOYSA-N |