2-azanyl-9-[4-oxidanyl-5-[2-(phenylsulfonyl)ethoxymethyl]oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-oxidanyl-5-[2-(phenylsulfonyl)ethoxymethyl]oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[5-[2-(benzenesulfonyl)ethoxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[5-[2-(benzenesulfonyl)ethoxymethyl]-4-hydroxy-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[5-[2-(benzenesulfonyl)ethoxymethyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[5-(2-besylethoxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COCCS(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COCCS(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C18H21N5O6S/c19-18-21-16-15(17(25)22-18)20-10-23(16)14-8-12(24)13(29-14)9-28-6-7-30(26,27)11-4-2-1-3-5-11/h1-5,10,12-14,24H,6-9H2,(H3,19,21,22,25)