[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] (E)-oct-4-enoate

Systemtic Name: [(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] (E)-oct-4-enoate Openeye Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] (E)-oct-4-enoate CAS Name: (E)-4-octenoic 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)-oct-4-enoate Traditional Name: (E)-oct-4-enoic acid [(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C17H27N5O5 MolecularWeight: 381.42678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCC(=O)OC(N1CNC2=C1NC(=NC2=O)N)OCCCO

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O5/c1-2-3-4-5-6-8-12(24)27-17(26-10-7-9-23)22-11-19-13-14(22)20-16(18)21-15(13)25/h4-5,17,19,23H,2-3,6-11H2,1H3,(H3,18,20,21,25)/b5-4+