ethyl 4-azanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-benzylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-benzylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-(benzylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S/c1-2-19-13(18)11-8-16-14(17-12(11)15)20-9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H2,15,16,17)