N6-[(2-chlorophenyl)methyl]-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C16H13ClN6O2 MolecularWeight: 356.76642

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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)Cl

Isomeric SMILES

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

InChI

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