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

Systemtic Name: 1-[3-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-[(4-chlorophenyl)methylamino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[(4-chlorophenyl)methylamino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-[(4-chlorophenyl)methylamino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C19H16ClN5O3 MolecularWeight: 397.81504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN5O3/c1-12(26)14-3-2-4-16(9-14)24-19-17(25(27)28)18(22-11-23-19)21-10-13-5-7-15(20)8-6-13/h2-9,11H,10H2,1H3,(H2,21,22,23,24)