sodium 3-(furan-2-ylmethyl)-1-methyl-6-sulfanylidene-purin-7-id-2-one

Systemtic Name: sodium 3-(furan-2-ylmethyl)-1-methyl-6-sulfanylidene-purin-7-id-2-one Openeye Name: sodium 3-(2-furylmethyl)-1-methyl-6-thioxo-purin-7-id-2-one CAS Name: sodium 3-(2-furanylmethyl)-1-methyl-6-sulfanylidene-2-purin-7-idone IUPAC Name: sodium 3-(furan-2-ylmethyl)-1-methyl-6-sulfanylidenepurin-7-id-2-one Traditional Name: sodium 3-(2-furfuryl)-1-methyl-6-thioxo-purin-7-id-2-one Formula: C11H9N4NaO2S MolecularWeight: 284.26953

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)C2=C(N=C[N-]2)N(C1=O)CC3=CC=CO3.[Na+]

Isomeric SMILES

CN1C(=S)C2=C(N=C[N-]2)N(C1=O)CC3=CC=CO3.[Na+]

InChI

InChI=1S/C11H10N4O2S.Na/c1-14-10(18)8-9(13-6-12-8)15(11(14)16)5-7-3-2-4-17-7;/h2-4,6H,5H2,1H3,(H,12,13,18);/q;+1/p-1