ethyl 1-methyl-4-(4-phenylpiperazin-1-yl)-6-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-methyl-4-(4-phenylpiperazin-1-yl)-6-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-methyl-4-(4-phenylpiperazin-1-yl)-6-thioxo-pyrimidine-5-carboxylate CAS Name: 1-methyl-4-(4-phenyl-1-piperazinyl)-6-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-4-(4-phenylpiperazin-1-yl)-6-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-methyl-4-(4-phenylpiperazino)-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)C)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=CN(C1=S)C)N2CCN(CC2)C3=CC=CC=C3

InChI

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