6-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-[2-(1-cyclohexenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-[2-(cyclohexen-1-yl)ethyl]amine Formula: C18H27N5O2 MolecularWeight: 345.43928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O2/c24-23(25)16-17(19-11-10-15-8-4-3-5-9-15)20-14-21-18(16)22-12-6-1-2-7-13-22/h8,14H,1-7,9-13H2,(H,19,20,21)