sodium 3-butyl-7-methyl-6-sulfanylidene-purin-1-id-2-one

Systemtic Name: sodium 3-butyl-7-methyl-6-sulfanylidene-purin-1-id-2-one Openeye Name: sodium 3-butyl-7-methyl-6-thioxo-purin-1-id-2-one CAS Name: sodium 3-butyl-7-methyl-6-sulfanylidene-2-purin-1-idone IUPAC Name: sodium 3-butyl-7-methyl-6-sulfanylidenepurin-1-id-2-one Traditional Name: sodium 3-butyl-7-methyl-6-thioxo-purin-1-id-2-one Formula: C10H13N4NaOS MolecularWeight: 260.29119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4OS.Na/c1-3-4-5-14-8-7(13(2)6-11-8)9(16)12-10(14)15;/h6H,3-5H2,1-2H3,(H,12,15,16);/q;+1/p-1