ethyl 4-[3-methyl-4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-methyl-4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-[2-(2-thienyl)acetyl]piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-(2-thiophen-2-ylacetyl)piperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[3-methyl-4-[2-(2-thienyl)acetyl]piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H32N4O4S MolecularWeight: 520.64308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)CC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)CC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4S/c1-4-10-22-24(28(35)36-5-2)25(30-26(29-22)20-11-7-6-8-12-20)27(34)31-14-15-32(19(3)18-31)23(33)17-21-13-9-16-37-21/h6-9,11-13,16,19H,4-5,10,14-15,17-18H2,1-3H3