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

Systemtic Name: ethyl 4-(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-(thiophene-2-carbonyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-(thiophene-2-carbonyl)piperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[3-methyl-4-(2-thenoyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4S/c1-4-10-20-22(27(34)35-5-2)23(29-24(28-20)19-11-7-6-8-12-19)26(33)30-14-15-31(18(3)17-30)25(32)21-13-9-16-36-21/h6-9,11-13,16,18H,4-5,10,14-15,17H2,1-3H3