[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (E)-octadec-9-enoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C27H45N5O5 MolecularWeight: 519.6767

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C27H45N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)36-19-22(18-33)37-21-32-20-29-24-25(32)30-27(28)31-26(24)35/h9-10,20,22,33H,2-8,11-19,21H2,1H3,(H3,28,30,31,35)/b10-9+