ethyl 6-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H21N5O7S MolecularWeight: 463.46434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N5O7S/c1-4-30-18(26)15-12(20-19(27)21-16(15)13-6-5-7-32-13)9-31-14(25)8-23-11(3)17(24(28)29)10(2)22-23/h5-7,16H,4,8-9H2,1-3H3,(H2,20,21,27)