N4-(furan-2-ylmethyl)-5-nitro-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(furan-2-ylmethyl)-5-nitro-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine Openeye Name: N4-(2-furylmethyl)-5-nitro-2-pyrrolidin-1-yl-pyrimidine-4,6-diamine CAS Name: N4-(2-furanylmethyl)-5-nitro-2-(1-pyrrolidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(furan-2-ylmethyl)-5-nitro-2-pyrrolidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-pyrrolidino-pyrimidin-4-yl)-(2-furfuryl)amine Formula: C13H16N6O3 MolecularWeight: 304.30454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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