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

Systemtic Name: ethyl 4-azanyl-2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-carbethoxypiperazino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H23N5O5S MolecularWeight: 397.44932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C16H23N5O5S/c1-3-25-14(23)11-9-18-15(19-13(11)17)27-10-12(22)20-5-7-21(8-6-20)16(24)26-4-2/h9H,3-8,10H2,1-2H3,(H2,17,18,19)