prop-2-enyl 4-methyl-6-[3-methyl-4-(2-phenylsulfanylethanoyl)piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-6-[3-methyl-4-(2-phenylsulfanylethanoyl)piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-methyl-6-[3-methyl-4-(2-phenylsulfanylacetyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-6-[3-methyl-4-(2-phenylsulfanylacetyl)piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-[2-(phenylthio)acetyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C29H30N4O4S MolecularWeight: 530.6379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC=C

Isomeric SMILES

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC=C

InChI

InChI=1S/C29H30N4O4S/c1-4-17-37-29(36)25-21(3)30-27(22-11-7-5-8-12-22)31-26(25)28(35)32-15-16-33(20(2)18-32)24(34)19-38-23-13-9-6-10-14-23/h4-14,20H,1,15-19H2,2-3H3