[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] (E)-hexadec-9-enoate

Systemtic Name: [(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] (E)-hexadec-9-enoate Openeye Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester IUPAC Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid [(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C25H43N5O5 MolecularWeight: 493.63942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OC(N1CNC2=C1NC(=NC2=O)N)OCCCO

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OC(N1CNC2=C1NC(=NC2=O)N)OCCCO

InChI

InChI=1S/C25H43N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20(32)35-25(34-18-15-17-31)30-19-27-21-22(30)28-24(26)29-23(21)33/h7-8,25,27,31H,2-6,9-19H2,1H3,(H3,26,28,29,33)/b8-7+