methyl 2-[methyl-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]ethanoate

Systemtic Name: methyl 2-[methyl-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]ethanoate Openeye Name: methyl 2-[methyl-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)amino]acetate CAS Name: 2-[methyl-[5-nitro-6-(phenylthio)-4-pyrimidinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[methyl-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amino]acetic acid methyl ester Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)OC)C1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O4S/c1-17(8-11(19)22-2)13-12(18(20)21)14(16-9-15-13)23-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3