[(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] ethanoate

Systemtic Name: [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] ethanoate Openeye Name: [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] acetate CAS Name: acetic acid [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] ester IUPAC Name: [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] acetate Traditional Name: acetic acid [(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-enyl] ester Formula: C12H15N5O2 MolecularWeight: 261.2798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1NC=N2)COC(=O)C

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1NC=N2)/COC(=O)C

InChI

InChI=1S/C12H15N5O2/c1-8(5-19-9(2)18)3-4-13-11-10-12(15-6-14-10)17-7-16-11/h3,6-7H,4-5H2,1-2H3,(H2,13,14,15,16,17)/b8-3+