ethyl 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-phenyl-acetate CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-phenylacetate Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16N4O2S/c1-2-20-13(19)12(9-6-4-3-5-7-9)21-14-17-10(15)8-11(16)18-14/h3-8,12H,2H2,1H3,(H4,15,16,17,18)