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

Systemtic Name: ethyl 4-azanyl-2-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-amino-2-oxo-1-phenyl-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-amino-2-oxo-1-phenylethyl)thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(2-amino-2-oxo-1-phenylethyl)sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-amino-2-keto-1-phenyl-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O3S/c1-2-22-14(21)10-8-18-15(19-12(10)16)23-11(13(17)20)9-6-4-3-5-7-9/h3-8,11H,2H2,1H3,(H2,17,20)(H2,16,18,19)