[(2R,5S)-2-(6-oxidanylidene-3H-purin-9-yl)-5-prop-2-enyl-2H-furan-5-yl]methyl benzoate

Systemtic Name: [(2R,5S)-2-(6-oxidanylidene-3H-purin-9-yl)-5-prop-2-enyl-2H-furan-5-yl]methyl benzoate Openeye Name: [(2R,5S)-5-allyl-2-(6-oxo-3H-purin-9-yl)-2H-furan-5-yl]methyl benzoate CAS Name: benzoic acid [(2R,5S)-2-(6-oxo-3H-purin-9-yl)-5-prop-2-enyl-2H-furan-5-yl]methyl ester IUPAC Name: [(2R,5S)-2-(6-oxo-3H-purin-9-yl)-5-prop-2-enyl-2H-furan-5-yl]methyl benzoate Traditional Name: benzoic acid [(2R,5S)-5-allyl-2-(6-keto-3H-purin-9-yl)-2H-furan-5-yl]methyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C=CC(O1)N2C=NC3=C2NC=NC3=O)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C=CC[C@]1(C=C[C@@H](O1)N2C=NC3=C2NC=NC3=O)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O4/c1-2-9-20(11-27-19(26)14-6-4-3-5-7-14)10-8-15(28-20)24-13-23-16-17(24)21-12-22-18(16)25/h2-8,10,12-13,15H,1,9,11H2,(H,21,22,25)/t15-,20+/m1/s1