6-(azepan-1-yl)-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(furan-2-ylmethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2-furylmethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2-furanylmethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(furan-2-ylmethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amine Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O3/c21-20(22)13-14(16-10-12-6-5-9-23-12)17-11-18-15(13)19-7-3-1-2-4-8-19/h5-6,9,11H,1-4,7-8,10H2,(H,16,17,18)