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

Systemtic Name: ethyl 4-azanyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-ethylpiperazino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H23N5O3S MolecularWeight: 353.43982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C15H23N5O3S/c1-3-19-5-7-20(8-6-19)12(21)10-24-15-17-9-11(13(16)18-15)14(22)23-4-2/h9H,3-8,10H2,1-2H3,(H2,16,17,18)