sodium 3-(furan-2-ylmethyl)-1-methyl-purin-7-ide-2,6-dione

Systemtic Name: sodium 3-(furan-2-ylmethyl)-1-methyl-purin-7-ide-2,6-dione Openeye Name: sodium 3-(2-furylmethyl)-1-methyl-purin-7-ide-2,6-dione CAS Name: sodium 3-(2-furanylmethyl)-1-methylpurin-7-ide-2,6-dione IUPAC Name: sodium 3-(furan-2-ylmethyl)-1-methylpurin-7-ide-2,6-dione Traditional Name: sodium 3-(2-furfuryl)-1-methyl-purin-7-ide-2,6-quinone Formula: C11H9N4NaO3 MolecularWeight: 268.20393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O3.Na/c1-14-10(16)8-9(13-6-12-8)15(11(14)17)5-7-3-2-4-18-7;/h2-4,6H,5H2,1H3,(H,12,13,16);/q;+1/p-1