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

Systemtic Name: N4-(2-chlorophenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-chlorophenyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(2-chlorophenyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-chlorophenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H13ClN6O2 MolecularWeight: 356.76642

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O2/c17-12-5-1-2-6-13(12)22-16-14(23(24)25)15(20-10-21-16)19-9-11-4-3-7-18-8-11/h1-8,10H,9H2,(H2,19,20,21,22)