2-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-3-prop-2-ynoxy-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-4-oxidanyl-3-prop-2-ynoxy-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-(4-hydroxy-5-methylol-3-propargyloxy-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

Isomeric SMILES

C#CCOC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O

InChI

InChI=1S/C13H15N5O5/c1-2-3-22-9-8(20)6(4-19)23-12(9)18-5-15-7-10(18)16-13(14)17-11(7)21/h1,5-6,8-9,12,19-20H,3-4H2,(H3,14,16,17,21)