N4-butyl-N4-methyl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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