ethyl 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-amino-2-oxo-ethyl)sulfanyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(2-amino-2-oxoethyl)thio]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-2-oxoethyl)sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC(=O)N)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC(=O)N)C2=CC=CC=C2)C

InChI

InChI=1S/C16H17N3O3S/c1-3-22-16(21)13-10(2)18-14(11-7-5-4-6-8-11)19-15(13)23-9-12(17)20/h4-8H,3,9H2,1-2H3,(H2,17,20)