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

Systemtic Name: N4-(furan-2-ylmethyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(2-furylmethyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-(2-furanylmethyl)-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(furan-2-ylmethyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CO2

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CO2

InChI

InChI=1S/C12H15N5O3/c1-2-5-13-11-10(17(18)19)12(16-8-15-11)14-7-9-4-3-6-20-9/h3-4,6,8H,2,5,7H2,1H3,(H2,13,14,15,16)