N4,N4-bis(2-methylpropyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4,N4-bis(2-methylpropyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4,N4-diisobutyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N4-bis(2-methylpropyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(benzylamino)-5-nitro-pyrimidin-4-yl]-diisobutyl-amine Formula: C19H27N5O2 MolecularWeight: 357.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2/c1-14(2)11-23(12-15(3)4)19-17(24(25)26)18(21-13-22-19)20-10-16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3,(H,20,21,22)