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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2CCCO2

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2CCCO2

InChI

InChI=1S/C13H21N5O3/c1-2-3-6-14-12-11(18(19)20)13(17-9-16-12)15-8-10-5-4-7-21-10/h9-10H,2-8H2,1H3,(H2,14,15,16,17)