ethyl 4-methyl-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(benzylamino)-2-keto-ethyl]thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H23N3O3S/c1-3-29-23(28)20-16(2)25-21(18-12-8-5-9-13-18)26-22(20)30-15-19(27)24-14-17-10-6-4-7-11-17/h4-13H,3,14-15H2,1-2H3,(H,24,27)