5-nitro-N6-(4-phenoxyphenyl)-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(4-phenoxyphenyl)-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C21H16N6O3 MolecularWeight: 400.39014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O3/c28-27(29)19-20(23-14-24-21(19)26-16-5-4-12-22-13-16)25-15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-14H,(H2,23,24,25,26)