methyl 5-[1-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[1-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylethyl]furan-2-carboxylate Openeye Name: methyl 5-[1-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanylethyl]furan-2-carboxylate CAS Name: 5-[1-[(5-cyano-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]ethyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[1-(5-cyano-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanylethyl]furan-2-carboxylate Traditional Name: 5-[1-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]ethyl]furan-2-carboxylic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SC(C)C3=CC=C(O3)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SC(C)C3=CC=C(O3)C(=O)OC)C#N

InChI

InChI=1S/C17H17N3O3S/c1-9-12(8-18)16(20-15(19-9)11-4-5-11)24-10(2)13-6-7-14(23-13)17(21)22-3/h6-7,10-11H,4-5H2,1-3H3