methyl (4S)-1-ethyl-6-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]-4-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-1-ethyl-6-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]-4-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-1-ethyl-6-methyl-2-[methyl-[2-(2-thienyl)ethyl]amino]-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-ethyl-6-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-1-ethyl-6-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-ethyl-6-methyl-2-[methyl-[2-(2-thienyl)ethyl]amino]-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(N=C1N(C)CCC2=CC=CS2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](N=C1N(C)CCC2=CC=CS2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C22H27N3O2S/c1-5-25-16(2)19(21(26)27-4)20(17-10-7-6-8-11-17)23-22(25)24(3)14-13-18-12-9-15-28-18/h6-12,15,20H,5,13-14H2,1-4H3/t20-/m0/s1