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

Systemtic Name: N4-cycloheptyl-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O3/c22-21(23)14-15(17-10-13-8-5-9-24-13)18-11-19-16(14)20-12-6-3-1-2-4-7-12/h5,8-9,11-12H,1-4,6-7,10H2,(H2,17,18,19,20)