sodium 1-ethyl-3-(2-methylpropyl)-6-sulfanylidene-purin-7-id-2-one

Systemtic Name: sodium 1-ethyl-3-(2-methylpropyl)-6-sulfanylidene-purin-7-id-2-one Openeye Name: sodium 1-ethyl-3-isobutyl-6-thioxo-purin-7-id-2-one CAS Name: sodium 1-ethyl-3-(2-methylpropyl)-6-sulfanylidene-2-purin-7-idone IUPAC Name: sodium 1-ethyl-3-(2-methylpropyl)-6-sulfanylidenepurin-7-id-2-one Traditional Name: sodium 1-ethyl-3-isobutyl-6-thioxo-purin-7-id-2-one Formula: C11H15N4NaOS MolecularWeight: 274.31777

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)C2=C(N=C[N-]2)N(C1=O)CC(C)C.[Na+]

Isomeric SMILES

CCN1C(=S)C2=C(N=C[N-]2)N(C1=O)CC(C)C.[Na+]

InChI

InChI=1S/C11H16N4OS.Na/c1-4-14-10(17)8-9(13-6-12-8)15(11(14)16)5-7(2)3;/h6-7H,4-5H2,1-3H3,(H,12,13,17);/q;+1/p-1