2-azanyl-9-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]-7-prop-2-enyl-3H-purine-6,8-dione

Systemtic Name: 2-azanyl-9-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]-7-prop-2-enyl-3H-purine-6,8-dione Openeye Name: 7-allyl-2-amino-9-[(3R,5R)-5-(hydroxymethyl)tetrahydrofuran-3-yl]-3H-purine-6,8-dione CAS Name: 2-amino-9-[(3R,5R)-5-(hydroxymethyl)-3-oxolanyl]-7-prop-2-enyl-3H-purine-6,8-dione IUPAC Name: 2-amino-9-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]-7-prop-2-enyl-3H-purine-6,8-dione Traditional Name: 7-allyl-2-amino-9-[(3R,5R)-5-methyloltetrahydrofuran-3-yl]-3H-purine-6,8-quinone Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(NC(=NC2=O)N)N(C1=O)C3CC(OC3)CO

Isomeric SMILES

C=CCN1C2=C(NC(=NC2=O)N)N(C1=O)[C@@H]3C[C@@H](OC3)CO

InChI

InChI=1S/C13H17N5O4/c1-2-3-17-9-10(15-12(14)16-11(9)20)18(13(17)21)7-4-8(5-19)22-6-7/h2,7-8,19H,1,3-6H2,(H3,14,15,16,20)/t7-,8-/m1/s1