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

Systemtic Name: 5-nitro-N6-(phenylmethyl)-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(phenylmethyl)-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

InChI

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