sodium 3-(2-methylpropyl)-6-sulfanylidene-purin-7-id-2-one

Systemtic Name: sodium 3-(2-methylpropyl)-6-sulfanylidene-purin-7-id-2-one Openeye Name: sodium 3-isobutyl-6-thioxo-purin-7-id-2-one CAS Name: sodium 3-(2-methylpropyl)-6-sulfanylidene-2-purin-7-idone IUPAC Name: sodium 3-(2-methylpropyl)-6-sulfanylidenepurin-7-id-2-one Traditional Name: sodium 3-isobutyl-6-thioxo-purin-7-id-2-one Formula: C9H11N4NaOS MolecularWeight: 246.26461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=S)NC1=O)[N-]C=N2.[Na+]

Isomeric SMILES

CC(C)CN1C2=C(C(=S)NC1=O)[N-]C=N2.[Na+]

InChI

InChI=1S/C9H12N4OS.Na/c1-5(2)3-13-7-6(10-4-11-7)8(15)12-9(13)14;/h4-5H,3H2,1-2H3,(H2,10,11,12,14,15);/q;+1/p-1