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[2-(methylamino)purin-9-yl]methyl icosanoate

Systemtic Name:	[2-(methylamino)purin-9-yl]methyl icosanoate
Openeye Name:	[2-(methylamino)purin-9-yl]methyl icosanoate
CAS Name:	eicosanoic acid [2-(methylamino)-9-purinyl]methyl ester
IUPAC Name:	[2-(methylamino)purin-9-yl]methyl icosanoate
Traditional Name:	arachidic acid [2-(methylamino)purin-9-yl]methyl ester
Formula:	C₂₇H₄₇N₅O₂
MolecularWeight:	473.69438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCN1C=NC2=CN=C(N=C21)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCN1C=NC2=CN=C(N=C21)NC

InChI

InChI=1S/C27H47N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)34-23-32-22-30-24-21-29-27(28-2)31-26(24)32/h21-22H,3-20,23H2,1-2H3,(H,28,29,31)

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