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

Systemtic Name: N6-butyl-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CO2

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CO2

InChI

InChI=1S/C13H17N5O3/c1-2-3-6-14-12-11(18(19)20)13(17-9-16-12)15-8-10-5-4-7-21-10/h4-5,7,9H,2-3,6,8H2,1H3,(H2,14,15,16,17)