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

Systemtic Name: 5-[[4-[methyl(propyl)amino]-6-propan-2-yl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-isopropyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-[methyl(propyl)amino]-6-propan-2-yl-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-[methyl(propyl)amino]-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-isopropyl-6-[methyl(propyl)amino]pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C17H22N3O3S- MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-5-8-20(4)15-9-13(11(2)3)18-17(19-15)24-10-12-6-7-14(23-12)16(21)22/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)/p-1