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

Systemtic Name: N4-butyl-N4-methyl-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N4-methyl-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-butyl-N4-methyl-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-4-N-methyl-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-methyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2/c1-4-5-10-21(3)17-15(22(23)24)16(19-12-20-17)18-11-14-8-6-13(2)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,19,20)