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

Systemtic Name: sodium 3-(3-methoxypropyl)-1-methyl-6-sulfanylidene-purin-7-id-2-one Openeye Name: sodium 3-(3-methoxypropyl)-1-methyl-6-thioxo-purin-7-id-2-one CAS Name: sodium 3-(3-methoxypropyl)-1-methyl-6-sulfanylidene-2-purin-7-idone IUPAC Name: sodium 3-(3-methoxypropyl)-1-methyl-6-sulfanylidenepurin-7-id-2-one Traditional Name: sodium 3-(3-methoxypropyl)-1-methyl-6-thioxo-purin-7-id-2-one Formula: C10H13N4NaO2S MolecularWeight: 276.29059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O2S.Na/c1-13-9(17)7-8(12-6-11-7)14(10(13)15)4-3-5-16-2;/h6H,3-5H2,1-2H3,(H,11,12,17);/q;+1/p-1