ethyl 4-(5-ethanoyl-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(5-ethanoyl-6-methyl-1-phenyl-2-sulfanylidene-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(5-acetyl-6-methyl-1-phenyl-2-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 4-(5-acetyl-6-methyl-1-phenyl-2-sulfanylidene-4-pyrimidinyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-acetyl-6-methyl-1-phenyl-2-sulfanylidenepyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(5-acetyl-6-methyl-1-phenyl-2-thioxo-pyrimidin-4-yl)piperazine-1-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=S)N(C(=C2C(=O)C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=S)N(C(=C2C(=O)C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3S/c1-4-27-20(26)23-12-10-22(11-13-23)18-17(15(3)25)14(2)24(19(28)21-18)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3