N-[(4-methylphenyl)methyl]-5-nitro-6-phenoxy-pyrimidin-4-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-5-nitro-6-phenoxy-pyrimidin-4-amine Openeye Name: 5-nitro-6-phenoxy-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-5-nitro-6-phenoxy-4-pyrimidinamine IUPAC Name: N-[(4-methylphenyl)methyl]-5-nitro-6-phenoxypyrimidin-4-amine Traditional Name: (4-methylbenzyl)-(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=C(C=C1)CNC2=C(C(=NC=N2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3/c1-13-7-9-14(10-8-13)11-19-17-16(22(23)24)18(21-12-20-17)25-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,20,21)