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

Systemtic Name: N4-[(2-chlorophenyl)methyl]-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-[(2-chlorophenyl)methyl]-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-[(2-chlorophenyl)methyl]-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-[(2-chlorophenyl)methyl]-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C17H15ClN6O2 MolecularWeight: 370.793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C17H15ClN6O2/c18-14-6-2-1-5-13(14)10-21-17-15(24(25)26)16(22-11-23-17)20-9-12-4-3-7-19-8-12/h1-8,11H,9-10H2,(H2,20,21,22,23)