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

Systemtic Name: 2-(6-azanyl-2-quinolin-3-ylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(3-quinolylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(3-quinolinylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-amino-2-quinolin-3-ylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(3-quinolylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C19H18N6O4S MolecularWeight: 426.44902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)SC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)SC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C19H18N6O4S/c20-16-13-17(25(8-22-13)18-15(28)14(27)12(7-26)29-18)24-19(23-16)30-10-5-9-3-1-2-4-11(9)21-6-10/h1-6,8,12,14-15,18,26-28H,7H2,(H2,20,23,24)