N6-butyl-N4-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C12H21N5O3 MolecularWeight: 283.32684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O3/c1-3-4-6-13-11-10(17(18)19)12(16-9-15-11)14-7-5-8-20-2/h9H,3-8H2,1-2H3,(H2,13,14,15,16)