ethyl (4S)-6-[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonyloxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonyloxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[4-cyano-2-methyl-5-(1-pyrrolyl)-3-furanyl]-oxomethoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-cyano-2-methyl-5-pyrrol-1-yl-3-furoyl)oxymethyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C20H20N4O6/c1-4-28-18(25)15-11(2)22-20(27)23-14(15)10-29-19(26)16-12(3)30-17(13(16)9-21)24-7-5-6-8-24/h5-8,11H,4,10H2,1-3H3,(H2,22,23,27)/t11-/m0/s1