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

Systemtic Name: methyl 2-[methyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]ethanoate Openeye Name: methyl 2-[methyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-(phenethylamino)-4-pyrimidinyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amino]acetic acid methyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

Isomeric SMILES

CN(CC(=O)OC)C1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CC=C2

InChI

InChI=1S/C16H19N5O4/c1-20(10-13(22)25-2)16-14(21(23)24)15(18-11-19-16)17-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18,19)