ethyl 6-methyl-2-phenyl-1-(phenylmethyl)-4-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-phenyl-1-(phenylmethyl)-4-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzyl-6-methyl-2-phenyl-4-thioxo-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-phenyl-1-(phenylmethyl)-4-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-methyl-2-phenyl-4-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-benzyl-6-methyl-2-phenyl-4-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1=S)C2=CC=CC=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC1=S)C2=CC=CC=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O2S/c1-3-25-21(24)18-15(2)23(14-16-10-6-4-7-11-16)19(22-20(18)26)17-12-8-5-9-13-17/h4-13H,3,14H2,1-2H3