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

Systemtic Name: 6-(azepan-1-yl)-N2-(furan-2-ylmethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(2-furylmethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(2-furanylmethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(2-furfuryl)amine Formula: C15H20N6O3 MolecularWeight: 332.3577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O3/c16-13-12(21(22)23)14(20-7-3-1-2-4-8-20)19-15(18-13)17-10-11-6-5-9-24-11/h5-6,9H,1-4,7-8,10H2,(H3,16,17,18,19)