4-(furan-2-ylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-(furan-2-ylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-(2-furylmethylamino)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(2-furanylmethylamino)-2-(methylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-(furan-2-ylmethylamino)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(2-furfurylamino)-2-(methylthio)pyrimidine-5-carboxylate Formula: C11H10N3O3S- MolecularWeight: 264.2804

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NCC2=CC=CO2)C(=O)[O-]

Isomeric SMILES

CSC1=NC=C(C(=N1)NCC2=CC=CO2)C(=O)[O-]

InChI

InChI=1S/C11H11N3O3S/c1-18-11-13-6-8(10(15)16)9(14-11)12-5-7-3-2-4-17-7/h2-4,6H,5H2,1H3,(H,15,16)(H,12,13,14)/p-1