ethyl 4-azanyl-2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H21N5O5S/c1-2-27-17(26)12-10-20-18(21-15(12)19)29-11-14(24)22-5-7-23(8-6-22)16(25)13-4-3-9-28-13/h3-4,9-10H,2,5-8,11H2,1H3,(H2,19,20,21)