sodium 2-[2-(6-aminopurin-9-yl)ethanoylamino]dodecanoate

Systemtic Name: sodium 2-[2-(6-aminopurin-9-yl)ethanoylamino]dodecanoate Openeye Name: sodium 2-[[2-(6-aminopurin-9-yl)acetyl]amino]dodecanoate CAS Name: sodium 2-[[2-(6-aminopurin-9-yl)-1-oxoethyl]amino]dodecanoate IUPAC Name: sodium 2-[[2-(6-aminopurin-9-yl)acetyl]amino]dodecanoate Traditional Name: sodium 2-[(2-adenin-9-ylacetyl)amino]laurate Formula: C19H29N6NaO3 MolecularWeight: 412.46173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)[O-])NC(=O)CN1C=NC2=C1N=CN=C2N.[Na+]

Isomeric SMILES

CCCCCCCCCCC(C(=O)[O-])NC(=O)CN1C=NC2=C1N=CN=C2N.[Na+]

InChI

InChI=1S/C19H30N6O3.Na/c1-2-3-4-5-6-7-8-9-10-14(19(27)28)24-15(26)11-25-13-23-16-17(20)21-12-22-18(16)25;/h12-14H,2-11H2,1H3,(H,24,26)(H,27,28)(H2,20,21,22);/q;+1/p-1