ethyl 4-azanyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(4-oxo-4-phenyl-butyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-oxo-4-phenylbutyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(4-oxo-4-phenylbutyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-keto-4-phenyl-butyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-2-23-16(22)13-11-19-17(20-15(13)18)24-10-6-9-14(21)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H2,18,19,20)