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

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

Click to see the large picture

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(=O)OC(C)C

Isomeric SMILES

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

InChI

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