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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)C

InChI

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