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

Systemtic Name: N4-butyl-N6-[(4-chlorophenyl)methyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-[(4-chlorophenyl)methyl]-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-[(4-chlorophenyl)methyl]-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-[(4-chlorophenyl)methyl]-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[(4-chlorobenzyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN5O2/c1-3-4-9-21(2)16-14(22(23)24)15(19-11-20-16)18-10-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19,20)