1-[[2-azanyl-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]amino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[2-azanyl-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]amino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]amino]cyclopropanecarboxylic acid CAS Name: 1-[[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-6-purinyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[2-amino-9-(2-methylol-1,3-dioxolan-4-yl)purin-6-yl]amino]cyclopropanecarboxylic acid Formula: C13H16N6O5 MolecularWeight: 336.30334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)O)NC2=NC(=NC3=C2N=CN3C4COC(O4)CO)N

Isomeric SMILES

C1CC1(C(=O)O)NC2=NC(=NC3=C2N=CN3C4COC(O4)CO)N

InChI

InChI=1S/C13H16N6O5/c14-12-16-9(18-13(1-2-13)11(21)22)8-10(17-12)19(5-15-8)6-4-23-7(3-20)24-6/h5-7,20H,1-4H2,(H,21,22)(H3,14,16,17,18)