9-[(2R,5S)-5-(hydroxymethyl)-5-prop-2-enyl-2H-furan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[(2R,5S)-5-(hydroxymethyl)-5-prop-2-enyl-2H-furan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2R,5S)-5-allyl-5-(hydroxymethyl)-2H-furan-2-yl]-3H-purin-6-one CAS Name: 9-[(2R,5S)-5-(hydroxymethyl)-5-prop-2-enyl-2H-furan-2-yl]-3H-purin-6-one IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)-5-prop-2-enyl-2H-furan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2R,5S)-5-allyl-5-methylol-2H-furan-2-yl]-3H-purin-6-one Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C=CC(O1)N2C=NC3=C2NC=NC3=O)CO

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c1-2-4-13(6-18)5-3-9(20-13)17-8-16-10-11(17)14-7-15-12(10)19/h2-3,5,7-9,18H,1,4,6H2,(H,14,15,19)/t9-,13+/m1/s1