ethyl 4-azanyl-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(4-phenylphenyl)ethyl]thio]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)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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