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

Systemtic Name: ethyl 4-(4-methylpiperazin-1-yl)-1-(phenylmethyl)-6-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzyl-4-(4-methylpiperazin-1-yl)-6-thioxo-pyrimidine-5-carboxylate CAS Name: 4-(4-methyl-1-piperazinyl)-1-(phenylmethyl)-6-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-(4-methylpiperazin-1-yl)-6-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-benzyl-4-(4-methylpiperazino)-6-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCN(CC3)C

InChI

InChI=1S/C19H24N4O2S/c1-3-25-19(24)16-17(22-11-9-21(2)10-12-22)20-14-23(18(16)26)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3