N4-butan-2-yl-N6-butyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-butyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-butyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-butyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-(sec-butylamino)pyrimidin-4-yl]amine Formula: C12H21N5O2 MolecularWeight: 267.32744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)NC(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)NC(C)CC)[N+](=O)[O-]

InChI

InChI=1S/C12H21N5O2/c1-4-6-7-13-11-10(17(18)19)12(15-8-14-11)16-9(3)5-2/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16)