methyl 3-azido-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-butanoate

Systemtic Name: methyl 3-azido-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-butanoate Openeye Name: methyl 3-azido-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenyl-butanoate CAS Name: 3-azido-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-phenylbutanoic acid methyl ester IUPAC Name: methyl 3-azido-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-phenylbutanoate Traditional Name: 3-azido-2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-phenyl-butyric acid methyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(C(=O)OC)SC2=NC(=CC(=N2)OC)OC)N=[N+]=[N-]

Isomeric SMILES

CC(C1=CC=CC=C1)(C(C(=O)OC)SC2=NC(=CC(=N2)OC)OC)N=[N+]=[N-]

InChI

InChI=1S/C17H19N5O4S/c1-17(21-22-18,11-8-6-5-7-9-11)14(15(23)26-4)27-16-19-12(24-2)10-13(20-16)25-3/h5-10,14H,1-4H3