ethyl 4-azanyl-2-(2-oxidanylidene-1,2-diphenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(2-oxidanylidene-1,2-diphenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-oxo-1,2-diphenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-oxo-1,2-diphenylethyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-oxo-1,2-diphenylethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-(desylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-2-27-20(26)16-13-23-21(24-19(16)22)28-18(15-11-7-4-8-12-15)17(25)14-9-5-3-6-10-14/h3-13,18H,2H2,1H3,(H2,22,23,24)