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

Systemtic Name: N6-butyl-N4,N6-dimethyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-butyl-N4,N6-dimethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4,N6-dimethyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-butyl-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[butyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-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-])N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])N(C)CC2=CC=CC=C2

InChI

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