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

Systemtic Name: N4-[(4-chlorophenyl)methyl]-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(4-chlorophenyl)methyl]-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[(4-chlorophenyl)methyl]-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-chlorophenyl)methyl]-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN5O2/c1-11(2)7-8-18-15-14(22(23)24)16(21-10-20-15)19-9-12-3-5-13(17)6-4-12/h3-6,10-11H,7-9H2,1-2H3,(H2,18,19,20,21)