5-[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-(methoxymethyl)-6-[methyl(propyl)amino]-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C16H20N3O4S- MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)C1=NC(=NC(=C1)COC)SCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CCCN(C)C1=NC(=NC(=C1)COC)SCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C16H21N3O4S/c1-4-7-19(2)14-8-11(9-22-3)17-16(18-14)24-10-12-5-6-13(23-12)15(20)21/h5-6,8H,4,7,9-10H2,1-3H3,(H,20,21)/p-1