ethyl 4-methyl-6-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-[2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl]thio]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[[2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl]thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NCC2CCCO2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NC[C@H]2CCCO2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O4S/c1-3-27-21(26)18-14(2)23-19(15-8-5-4-6-9-15)24-20(18)29-13-17(25)22-12-16-10-7-11-28-16/h4-6,8-9,16H,3,7,10-13H2,1-2H3,(H,22,25)/t16-/m1/s1