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

Systemtic Name: N6-[(2-chlorophenyl)methyl]-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-N4-cyclohexyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-N4-cyclohexyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-4-N-cyclohexyl-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[6-(cyclohexylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H20ClN5O2 MolecularWeight: 361.826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O2/c18-14-9-5-4-6-12(14)10-19-16-15(23(24)25)17(21-11-20-16)22-13-7-2-1-3-8-13/h4-6,9,11,13H,1-3,7-8,10H2,(H2,19,20,21,22)