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

Systemtic Name: 5-nitro-N4,N6-bis(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4,N6-bis(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N6-bis(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N,6-N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O2/c24-23(25)14-15(19-9-12-3-1-5-17-7-12)21-11-22-16(14)20-10-13-4-2-6-18-8-13/h1-8,11H,9-10H2,(H2,19,20,21,22)