1-[3-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3/c1-14(26)16-9-6-10-17(11-16)23-19-18(25(27)28)20(22-13-21-19)24(2)12-15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3,(H,21,22,23)