N5-butyl-4-(furan-2-yl)-6-nitro-pyrimidine-2,5-diamine

Systemtic Name: N5-butyl-4-(furan-2-yl)-6-nitro-pyrimidine-2,5-diamine Openeye Name: N5-butyl-4-(2-furyl)-6-nitro-pyrimidine-2,5-diamine CAS Name: N5-butyl-4-(2-furanyl)-6-nitropyrimidine-2,5-diamine IUPAC Name: 5-N-butyl-4-(furan-2-yl)-6-nitropyrimidine-2,5-diamine Traditional Name: [2-amino-4-(2-furyl)-6-nitro-pyrimidin-5-yl]-butyl-amine Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(N=C(N=C1[N+](=O)[O-])N)C2=CC=CO2

Isomeric SMILES

CCCCNC1=C(N=C(N=C1[N+](=O)[O-])N)C2=CC=CO2

InChI

InChI=1S/C12H15N5O3/c1-2-3-6-14-10-9(8-5-4-7-20-8)15-12(13)16-11(10)17(18)19/h4-5,7,14H,2-3,6H2,1H3,(H2,13,15,16)