N2-ethyl-5-nitro-6-pentyl-N4-propan-2-yl-4H-pyrimidine-2,3,4-triamine

Systemtic Name: N2-ethyl-5-nitro-6-pentyl-N4-propan-2-yl-4H-pyrimidine-2,3,4-triamine Openeye Name: N2-ethyl-N4-isopropyl-5-nitro-6-pentyl-4H-pyrimidine-2,3,4-triamine CAS Name: N2-ethyl-5-nitro-6-pentyl-N4-propan-2-yl-4H-pyrimidine-2,3,4-triamine IUPAC Name: 2-N-ethyl-5-nitro-6-pentyl-4-N-propan-2-yl-4H-pyrimidine-2,3,4-triamine Traditional Name: [3-amino-6-amyl-2-(ethylamino)-5-nitro-4H-pyrimidin-4-yl]-isopropyl-amine Formula: C14H28N6O2 MolecularWeight: 312.41112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(N(C(=N1)NCC)N)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=C(C(N(C(=N1)NCC)N)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H28N6O2/c1-5-7-8-9-11-12(20(21)22)13(17-10(3)4)19(15)14(18-11)16-6-2/h10,13,17H,5-9,15H2,1-4H3,(H,16,18)