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

Systemtic Name: N6-butyl-N4-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N5O2/c1-3-4-9-17-15-14(21(22)23)16(20-11-19-15)18-10-13-7-5-12(2)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H2,17,18,19,20)