5-nitro-N4-phenyl-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-phenyl-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-phenyl-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-phenyl-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(3-pyridylmethyl)amine Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O2/c23-22(24)14-15(18-10-12-5-4-8-17-9-12)19-11-20-16(14)21-13-6-2-1-3-7-13/h1-9,11H,10H2,(H2,18,19,20,21)