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

Systemtic Name: 6-(azepan-1-yl)-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-5-nitro-N2-phenethyl-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-5-nitro-N2-phenethylpyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-5-nitro-2-N-phenethylpyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O2/c19-16-15(24(25)26)17(23-12-6-1-2-7-13-23)22-18(21-16)20-11-10-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2,(H3,19,20,21,22)