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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (E)-octadec-9-enoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C26H43N5O4 MolecularWeight: 489.65072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C26H43N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(32)35-19-18-34-21-31-20-28-23-24(31)29-26(27)30-25(23)33/h9-10,20H,2-8,11-19,21H2,1H3,(H3,27,29,30,33)/b10-9+