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

Systemtic Name: methyl 2-[2-(6-aminopurin-9-yl)ethanoylamino]dodecanoate Openeye Name: methyl 2-[[2-(6-aminopurin-9-yl)acetyl]amino]dodecanoate CAS Name: 2-[[2-(6-aminopurin-9-yl)-1-oxoethyl]amino]dodecanoic acid methyl ester IUPAC Name: methyl 2-[[2-(6-aminopurin-9-yl)acetyl]amino]dodecanoate Traditional Name: 2-[(2-adenin-9-ylacetyl)amino]lauric acid methyl ester Formula: C20H32N6O3 MolecularWeight: 404.50648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OC)NC(=O)CN1C=NC2=C1N=CN=C2N

Isomeric SMILES

CCCCCCCCCCC(C(=O)OC)NC(=O)CN1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C20H32N6O3/c1-3-4-5-6-7-8-9-10-11-15(20(28)29-2)25-16(27)12-26-14-24-17-18(21)22-13-23-19(17)26/h13-15H,3-12H2,1-2H3,(H,25,27)(H2,21,22,23)