ethyl 4-(furan-2-yl)-2-oxidanylidene-6-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(furan-2-yl)-2-oxidanylidene-6-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-oxo-6-[[4-(3-pyridylsulfonyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2-furanyl)-2-oxo-6-[[4-(3-pyridinylsulfonyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-oxo-6-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-furyl)-2-keto-6-[[4-(3-pyridylsulfonyl)piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H25N5O6S/c1-2-31-20(27)18-16(23-21(28)24-19(18)17-6-4-12-32-17)14-25-8-10-26(11-9-25)33(29,30)15-5-3-7-22-13-15/h3-7,12-13,19H,2,8-11,14H2,1H3,(H2,23,24,28)