N2-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(2-furylmethyl)-5-nitro-6-pyrrolidin-1-yl-pyrimidine-2,4-diamine CAS Name: N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(furan-2-ylmethyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-pyrrolidino-pyrimidin-2-yl)-(2-furfuryl)amine Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O3/c14-11-10(19(20)21)12(18-5-1-2-6-18)17-13(16-11)15-8-9-4-3-7-22-9/h3-4,7H,1-2,5-6,8H2,(H3,14,15,16,17)