[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-nonanoyloxy-propyl] nonanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-nonanoyloxy-propyl] nonanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-nonanoyloxy-propyl] nonanoate CAS Name: nonanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-(1-oxononoxy)propyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-nonanoyloxypropyl] nonanoate Traditional Name: pelargonic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-pelargonyloxy-propyl] ester Formula: C27H45N5O6 MolecularWeight: 535.6761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C27H45N5O6/c1-3-5-7-9-11-13-15-22(33)36-17-21(18-37-23(34)16-14-12-10-8-6-4-2)38-20-32-19-29-24-25(32)30-27(28)31-26(24)35/h19,21H,3-18,20H2,1-2H3,(H3,28,30,31,35)