5-nitro-N6-pentyl-N4-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-pentyl-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-isopropyl-5-nitro-N6-pentyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-pentyl-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: amyl-[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H21N5O2 MolecularWeight: 267.32744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=NC=N1)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C(=NC=N1)NC(C)C)[N+](=O)[O-]

InChI

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