N-[4-[(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]phenyl]ethanamide

Systemtic Name: N-[4-[(5-nitro-6-phenylazanyl-pyrimidin-4-yl)amino]phenyl]ethanamide Openeye Name: N-[4-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]phenyl]acetamide CAS Name: N-[4-[(6-anilino-5-nitro-4-pyrimidinyl)amino]phenyl]acetamide IUPAC Name: N-[4-[(6-anilino-5-nitropyrimidin-4-yl)amino]phenyl]acetamide Traditional Name: N-[4-[(6-anilino-5-nitro-pyrimidin-4-yl)amino]phenyl]acetamide Formula: C18H16N6O3 MolecularWeight: 364.35804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C18H16N6O3/c1-12(25)21-14-7-9-15(10-8-14)23-18-16(24(26)27)17(19-11-20-18)22-13-5-3-2-4-6-13/h2-11H,1H3,(H,21,25)(H2,19,20,22,23)