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

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

Systemtic Name:[2-(methylamino)purin-9-yl]methyl icosanoate; oxetane
Openeye Name:[2-(methylamino)purin-9-yl]methyl icosanoate; oxetane
CAS Name:eicosanoic acid [2-(methylamino)-9-purinyl]methyl ester; oxetane
IUPAC Name:[2-(methylamino)purin-9-yl]methyl icosanoate; oxetane
Traditional Name:arachidic acid [2-(methylamino)purin-9-yl]methyl ester; oxetane
Formula: C30H53N5O3
MolecularWeight: 531.77352
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCN1C=NC2=CN=C(N=C21)NC.C1COC1


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCN1C=NC2=CN=C(N=C21)NC.C1COC1


InChI

InChI=1S/C27H47N5O2.C3H6O/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;1-2-4-3-1/h21-22H,3-20,23H2,1-2H3,(H,28,29,31);1-3H2


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