N-(3,5-dimethylphenyl)-5-nitro-6-phenoxy-pyrimidin-4-amine

Systemtic Name: N-(3,5-dimethylphenyl)-5-nitro-6-phenoxy-pyrimidin-4-amine Openeye Name: N-(3,5-dimethylphenyl)-5-nitro-6-phenoxy-pyrimidin-4-amine CAS Name: N-(3,5-dimethylphenyl)-5-nitro-6-phenoxy-4-pyrimidinamine IUPAC Name: N-(3,5-dimethylphenyl)-5-nitro-6-phenoxypyrimidin-4-amine Traditional Name: (3,5-dimethylphenyl)-(5-nitro-6-phenoxy-pyrimidin-4-yl)amine Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)OC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N4O3/c1-12-8-13(2)10-14(9-12)21-17-16(22(23)24)18(20-11-19-17)25-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,19,20,21)