2-(6-azanyl-2-naphthalen-1-ylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-azanyl-2-naphthalen-1-ylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(1-naphthylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(1-naphthalenylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-amino-2-naphthalen-1-ylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(1-naphthylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2SC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2SC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C20H19N5O4S/c21-17-14-18(25(9-22-14)19-16(28)15(27)12(8-26)29-19)24-20(23-17)30-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,9,12,15-16,19,26-28H,8H2,(H2,21,23,24)