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

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-(5-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-[(5-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H15ClN6O2 MolecularWeight: 370.793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN6O2/c1-11-2-7-14(19-8-11)23-17-15(24(25)26)16(21-10-22-17)20-9-12-3-5-13(18)6-4-12/h2-8,10H,9H2,1H3,(H2,19,20,21,22,23)