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

Systemtic Name: [(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-(3-oxidanylpropoxy)methyl] (E)-but-2-enoate Openeye Name: [(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic 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)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-(3-hydroxypropoxy)methyl] ester Formula: C13H19N5O5 MolecularWeight: 325.32046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O5/c1-2-4-8(20)23-13(22-6-3-5-19)18-7-15-9-10(18)16-12(14)17-11(9)21/h2,4,13,15,19H,3,5-7H2,1H3,(H3,14,16,17,21)/b4-2+