N4-butan-2-yl-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-sec-butyl-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(sec-butylamino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2CCCO2

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NCC2CCCO2

InChI

InChI=1S/C13H21N5O3/c1-3-9(2)17-13-11(18(19)20)12(15-8-16-13)14-7-10-5-4-6-21-10/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)