N4-(5-methylpyridin-2-yl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(5-methylpyridin-2-yl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(5-methyl-2-pyridyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(5-methyl-2-pyridinyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(5-methylpyridin-2-yl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (5-methyl-2-pyridyl)-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N7O2/c1-11-4-5-13(18-7-11)22-16-14(23(24)25)15(20-10-21-16)19-9-12-3-2-6-17-8-12/h2-8,10H,9H2,1H3,(H2,18,19,20,21,22)