2-[4-(6-aminopurin-9-yl)-3-azanyl-cyclohexyl]ethanoic acid

Systemtic Name: 2-[4-(6-aminopurin-9-yl)-3-azanyl-cyclohexyl]ethanoic acid Openeye Name: 2-[3-amino-4-(6-aminopurin-9-yl)cyclohexyl]acetic acid CAS Name: 2-[3-amino-4-(6-aminopurin-9-yl)cyclohexyl]acetic acid IUPAC Name: 2-[3-amino-4-(6-aminopurin-9-yl)cyclohexyl]acetic acid Traditional Name: 2-(4-adenin-9-yl-3-amino-cyclohexyl)acetic acid Formula: C13H18N6O2 MolecularWeight: 290.32102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1CC(=O)O)N)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1CC(C(CC1CC(=O)O)N)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C13H18N6O2/c14-8-3-7(4-10(20)21)1-2-9(8)19-6-18-11-12(15)16-5-17-13(11)19/h5-9H,1-4,14H2,(H,20,21)(H2,15,16,17)