2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-(naphthalen-1-ylmethylsulfanyl)-5H-purin-6-one

Systemtic Name: 2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-8-(naphthalen-1-ylmethylsulfanyl)-5H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(1-naphthylmethylsulfanyl)-5H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(1-naphthalenylmethylthio)-5H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(naphthalen-1-ylmethylsulfanyl)-5H-purin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-(1-naphthylmethylthio)-5H-purin-6-one Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4C(=NC(=NC4=O)N)N3C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4C(=NC(=NC4=O)N)N3C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C21H21N5O5S/c22-20-24-17-14(18(30)25-20)23-21(26(17)19-16(29)15(28)13(8-27)31-19)32-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,13-16,19,27-29H,8-9H2,(H2,22,25,30)