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

Systemtic Name: ethyl 4-(4-methylpiperazin-1-yl)-1-phenyl-6-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-methylpiperazin-1-yl)-1-phenyl-6-thioxo-pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-1-piperazinyl)-1-phenyl-6-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpiperazin-1-yl)-1-phenyl-6-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-(4-methylpiperazino)-1-phenyl-6-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O2S MolecularWeight: 358.45788

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-3-24-18(23)15-16(21-11-9-20(2)10-12-21)19-13-22(17(15)25)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3