[4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] ethanoate; 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: [4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] ethanoate; 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: [4-[(1S)-1-acetoxyallyl]phenyl] acetate; 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: acetic acid [4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] ester; 9-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: [4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate; 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: acetic acid [4-[(1S)-1-acetoxyallyl]phenyl] ester; 9-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]-3H-purin-6-one Formula: C23H26N4O7 MolecularWeight: 470.47514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(C=C)OC(=O)C.C1CC(OC1CO)N2C=NC3=C2NC=NC3=O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)[C@H](C=C)OC(=O)C.C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=O

InChI

InChI=1S/C13H14O4.C10H12N4O3/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14;15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-8,13H,1H2,2-3H3;4-7,15H,1-3H2,(H,11,12,16)/t13-;6-,7+/m00/s1