N6-[(4-chlorophenyl)methyl]-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-pyridin-4-yl-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(4-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-pyridin-4-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-5-nitro-4-N-pyridin-4-ylpyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[5-nitro-6-(4-pyridylamino)pyrimidin-4-yl]amine Formula: C16H13ClN6O2 MolecularWeight: 356.76642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=NC=C3)Cl

InChI

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