1-[4-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-nitro-6-[(4-propan-2-ylphenyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(4-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-nitro-6-(4-propan-2-ylanilino)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-nitro-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[(6-cumidino-5-nitro-pyrimidin-4-yl)amino]phenyl]ethanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-13(2)15-4-8-17(9-5-15)24-20-19(26(28)29)21(23-12-22-20)25-18-10-6-16(7-11-18)14(3)27/h4-13H,1-3H3,(H2,22,23,24,25)