sodium 1-ethyl-3-prop-2-enyl-6-sulfanylidene-purin-7-id-2-one

Systemtic Name: sodium 1-ethyl-3-prop-2-enyl-6-sulfanylidene-purin-7-id-2-one Openeye Name: sodium 3-allyl-1-ethyl-6-thioxo-purin-7-id-2-one CAS Name: sodium 1-ethyl-3-prop-2-enyl-6-sulfanylidene-2-purin-7-idone IUPAC Name: sodium 1-ethyl-3-prop-2-enyl-6-sulfanylidenepurin-7-id-2-one Traditional Name: sodium 3-allyl-1-ethyl-6-thioxo-purin-7-id-2-one Formula: C10H11N4NaOS MolecularWeight: 258.27531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4OS.Na/c1-3-5-14-8-7(11-6-12-8)9(16)13(4-2)10(14)15;/h3,6H,1,4-5H2,2H3,(H,11,12,16);/q;+1/p-1