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

Systemtic Name: methyl 4-[3-methyl-4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-isopropyl-6-[3-methyl-4-[2-(2-thienyl)acetyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-methyl-4-(2-thiophen-2-ylacetyl)piperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-isopropyl-6-[3-methyl-4-[2-(2-thienyl)acetyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CS2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CS2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

InChI

InChI=1S/C27H30N4O4S/c1-17(2)23-22(27(34)35-4)24(29-25(28-23)19-9-6-5-7-10-19)26(33)30-12-13-31(18(3)16-30)21(32)15-20-11-8-14-36-20/h5-11,14,17-18H,12-13,15-16H2,1-4H3