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

Systemtic Name: ethyl (4R)-4-(furan-2-yl)-2-oxidanylidene-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(2-furyl)-2-oxo-6-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2-furanyl)-2-oxo-6-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(furan-2-yl)-2-oxo-6-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2-furyl)-2-keto-6-[[4-(2-thienylsulfonyl)piperazino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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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=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CO2)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N4O6S2/c1-2-29-19(25)17-14(21-20(26)22-18(17)15-5-3-11-30-15)13-23-7-9-24(10-8-23)32(27,28)16-6-4-12-31-16/h3-6,11-12,18H,2,7-10,13H2,1H3,(H2,21,22,26)/t18-/m0/s1