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

Systemtic Name: N4-(4-methylphenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(p-tolyl)-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methylphenyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methylphenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-toluidino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O2/c1-12-4-6-14(7-5-12)22-17-15(23(24)25)16(20-11-21-17)19-10-13-3-2-8-18-9-13/h2-9,11H,10H2,1H3,(H2,19,20,21,22)