N2-(3-azanylpropyl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3-azanylpropyl)-N4-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-aminopropyl)-N4-(2-furylmethyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3-aminopropyl)-N4-(2-furanylmethyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3-aminopropyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-aminopropylamino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C12H17N7O3 MolecularWeight: 307.30848

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN

Isomeric SMILES

C1=COC(=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN

InChI

InChI=1S/C12H17N7O3/c13-4-2-5-15-12-17-10(14)9(19(20)21)11(18-12)16-7-8-3-1-6-22-8/h1,3,6H,2,4-5,7,13H2,(H4,14,15,16,17,18)