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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

InChI

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