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

Systemtic Name: 2-methoxyethyl 4-methyl-6-[3-methyl-4-(2-phenylsulfanylethanoyl)piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C29H32N4O5S MolecularWeight: 548.65318

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O5S/c1-20-18-32(14-15-33(20)24(34)19-39-23-12-8-5-9-13-23)28(35)26-25(29(36)38-17-16-37-3)21(2)30-27(31-26)22-10-6-4-7-11-22/h4-13,20H,14-19H2,1-3H3