ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-1-phenyl-6-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-1-phenyl-6-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-1-phenyl-6-thioxo-pyrimidine-5-carboxylate CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-1-phenyl-6-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-1-phenyl-6-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-(4-carbethoxypiperazino)-1-phenyl-6-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN(C1=S)C2=CC=CC=C2)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=CN(C1=S)C2=CC=CC=C2)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H24N4O4S/c1-3-27-19(25)16-17(22-10-12-23(13-11-22)20(26)28-4-2)21-14-24(18(16)29)15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3