sodium 1,3-dibutyl-6-sulfanylidene-purin-7-id-2-one

Systemtic Name: sodium 1,3-dibutyl-6-sulfanylidene-purin-7-id-2-one Openeye Name: sodium 1,3-dibutyl-6-thioxo-purin-7-id-2-one CAS Name: sodium 1,3-dibutyl-6-sulfanylidene-2-purin-7-idone IUPAC Name: sodium 1,3-dibutyl-6-sulfanylidenepurin-7-id-2-one Traditional Name: sodium 1,3-dibutyl-6-thioxo-purin-7-id-2-one Formula: C13H19N4NaOS MolecularWeight: 302.37093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=S)N(C1=O)CCCC)[N-]C=N2.[Na+]

Isomeric SMILES

CCCCN1C2=C(C(=S)N(C1=O)CCCC)[N-]C=N2.[Na+]

InChI

InChI=1S/C13H20N4OS.Na/c1-3-5-7-16-11-10(14-9-15-11)12(19)17(13(16)18)8-6-4-2;/h9H,3-8H2,1-2H3,(H,14,15,19);/q;+1/p-1